SCHEMBL549243

SCHEMBL549243

CC(C(=O)O)c1ccc(N2Cc3ccc(Cl)cc3C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
TP53 P04637 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
PKM P14618 2/20 0.70
LMNA P02545 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C19 P33261 1/20 0.70
PGR P06401 1/20 0.70
CYP3A4 P08684 1/20 0.70
GAA P10253 1/20 0.70
NFKB1 P19838 1/20 0.70
DRD1 P21728 1/20 0.70
HTT P42858 1/20 0.70
NFKB2 Q00653 1/20 0.70
RELA Q04206 1/20 0.70
HDAC6 Q9UBN7 1/20 0.70
HTR1A P08908 1/20 0.50

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
SCHEMBL10085473 0.91 TP53 (0.64) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL10085454 0.90 NPC1 (0.70) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL10085488 0.88 NPC1 (0.73) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL550198 0.87 CBLB (0.51) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL10085811 0.87 SMN1; SMN2 (0.56) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL10085788 0.86 NPC1 (0.71) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL10085903 0.86 NPC1 (0.71) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL10113043 0.86 NPC1 (0.71) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL10085795 0.86 NPC1 (0.71) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL10085793 0.86 TP53 (0.64) NPC1RAB9ATP53SMN1; SMN2MEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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 (2 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 NPC1 1076/4885RAB9A 1487/4885TP53 4512/4885
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B NPC1 1202/4885RAB9A 1591/4885TP53 4615/4885

“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.