SCHEMBL3481461

SCHEMBL3481461

Cn1ccc2ccc(N3Cc4ccc(Br)cc4C3=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.38
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ PKM P14618 3/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ GPR183 P32249 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ HTR7 P34969 1/20 0.34
▸ CBLB Q13191 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ LPAR5 Q9H1C0 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TYMS P04818 2/20 0.32

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
SCHEMBL13113338 0.90 BACE1 (0.44) BACE1NPC1RAB9APKMCYP2A6
SCHEMBL3481171 0.90 PRKCI (0.39) BACE1NPC1RAB9APKMCYP2A6
SCHEMBL13113707 0.88 NPC1 (0.37) NPC1RAB9APKMCYP2A6MEN1
SCHEMBL13113450 0.86 NPC1 (0.47) NPC1RAB9APKMCYP2A6MEN1
SCHEMBL13113458 0.86 PRKCI (0.43) NPC1RAB9APKMCYP2A6MEN1
SCHEMBL13113424 0.85 HTR2C (0.48) NPC1RAB9APKMCYP2A6HTR2C
SCHEMBL13113370 0.84 NPC1 (0.56) NPC1RAB9APKMCYP2A6MEN1
SCHEMBL13113108 0.83 MEN1 (0.46) NPC1RAB9APKMCYP2A6MEN1
SCHEMBL13113721 0.83 HTR6 (0.46) NPC1RAB9APKMMEN1KMT2A
SCHEMBL3481901 0.83 NPC1 (0.50) NPC1RAB9APKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215074-B1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES US HEALTH (US) 2014-02-19 — — EP 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-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
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
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
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

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

For each of this compound's patents that has machine-readable text (1 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-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, SYNCRIP, RNMT BACE1 3922/4885NPC1 1441/4885RAB9A 985/4885

“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.

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