SCHEMBL550390

SCHEMBL550390

CCOC(=O)c1cc(Br)ccc1CBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRB2 P47870 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
TSHR P16473 1/20 0.49
LMNA P02545 3/20 0.48
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5238335 0.87 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1GABRA1GABRB1GABRA3
SCHEMBL24421416 0.86 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1GABRA1GABRB1GABRA3
SCHEMBL4832019 0.85 CYP4F2 (0.51) SMN1; SMN2ALDH1A1CYP4F2CYP4A11TSHR
SCHEMBL24801170 0.85 ATM (0.55) SMN1; SMN2ALDH1A1TSHRLMNAMAPT
SCHEMBL11377261 0.84 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1GABRA1GABRB1GABRA3
SCHEMBL20703389 0.84 CA12 (0.54) SMN1; SMN2ALDH1A1CYP4F2CYP4A11TSHR
SCHEMBL391759 0.83 NR4A2 (0.49) SMN1; SMN2ALDH1A1TSHRLMNAMAPT
SCHEMBL29874714 0.83 NR4A2 (0.49) SMN1; SMN2ALDH1A1TSHRLMNAMAPT
SCHEMBL234030 0.83 TSHR (0.60) SMN1; SMN2ALDH1A1GABRA1GABRB1GABRA3
SCHEMBL1470290 0.83 TSHR (0.52) SMN1; SMN2ALDH1A1CYP4F2CYP4A11TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104016979-B Substituted cyclic compound as well as use method and application thereof 广东东阳光药业有限公司 2017-05-03 CN disclosed
WO-2014089324-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2014-06-12 WO disclosed
EP-2215074-B1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES US HEALTH (US) 2014-02-19 EP disclosed
EP-2573080-A1 Isoindoline compounds for the treatment of spinal muscular atrophy and other uses The United States of America, as Represented by the Secretary, Department of Health and Human Services (US) 2013-03-27 EP disclosed
EP-2573080-A1 Isoindoline compounds for the treatment of spinal muscular atrophy and other uses The United States of America, as Represented by the Secretary, Department of Health and Human Services (US) 2013-03-27 EP disclosed
US-20120083495-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, 2012-04-05 US disclosed
US-20120083495-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, 2012-04-05 US disclosed
US-20120083495-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, 2012-04-05 US disclosed
US-8110681-B2 Compounds for the treatment of spinal muscular atrophy and other uses THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-02-07 US disclosed
US-8110681-B2 Compounds for the treatment of spinal muscular atrophy and other uses THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-02-07 US disclosed
US-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The United States of America, as represented by the Secretary, Department of Health and 2010-10-21 US disclosed
EP-2215074-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The United States of America, as Represented by the Secretary, Department of Health and Human Services (US) 2010-08-11 EP disclosed
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HHS (US) 2009-12-17 US disclosed
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HHS (US) 2009-12-17 US disclosed
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HHS (US) 2009-12-17 US disclosed
WO-2009042907-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-04-02 WO disclosed
WO-2009042907-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-04-02 WO disclosed
EP-2027088-A2 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The Government of the United States of America, as repres. by the Secretary of Health and Human Services, Nat. Inst. of Health (US) 2009-02-25 EP disclosed
WO-2007109211-A2 1-OXO-ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-09-27 WO disclosed
WO-2007109211-A2 1-OXO-ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-09-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120083495-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B SMN1; SMN2 1/4885ALDH1A1 1630/4885GABRA1 419/4885
US-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, SYNCRIP, RNMT SMN1; SMN2 1/4885ALDH1A1 1280/4885GABRA1 1097/4885
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B SMN1; SMN2 1/4885ALDH1A1 1547/4885GABRA1 615/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.