SCHEMBL962507

SCHEMBL962507

COc1ccc(NC(=O)CN2CCN(c3ccc(OC)c(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.61
▸ RECQL P46063 1/20 0.61
▸ MAPT P10636 4/20 0.56
▸ USP2 O75604 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ LMNA P02545 2/20 0.55
▸ KMT2A Q03164 4/20 0.54
▸ MAPK1 P28482 2/20 0.51
▸ GAA P10253 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL6622383 0.85 ALDH1A1 (0.61) ALDH1A1RECQLMAPTTSHRLMNA
SCHEMBL15086506 0.79 ALDH1A1 (0.78) ALDH1A1RECQLMAPTLMNAKMT2A
SCHEMBL7551929 0.76 ALDH1A1 (0.62) ALDH1A1RECQLMAPTTSHRLMNA
SCHEMBL960296 0.70 MEN1 (0.43) MAPTUSP2TSHRKMT2AMEN1
SCHEMBL12043242 0.70 SIRT6 (0.52) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL12312129 0.69 ALDH1A1 (0.62) ALDH1A1MAPTLMNAKMT2AMAPK1
SCHEMBL8354532 0.69 ALDH1A1 (0.64) ALDH1A1USP2TSHRLMNAKMT2A
SCHEMBL12059471 0.69 SIRT6 (0.50) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL11776133 0.69 ALDH1A1 (0.69) ALDH1A1RECQLMAPTKMT2AMAPK1
SCHEMBL31570127 0.69 ALDH1A1 (0.69) ALDH1A1RECQLMAPTKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368204-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity Salix Pharmaceuticals, Ltd 2015-12-24 — — US disclosed
US-20150011564-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity SPROUT PHARMACEUTICALS, INC. (US) 2015-01-08 — — US disclosed
US-8722682-B2 Sulfated benzimidazolone derivatives having mixed serotonin receptor affinity SPROUT PHARMACEUTICALS, INC. (US) 2014-05-13 — — US disclosed
EP-2097389-B1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY BOEHRINGER INGELHEIM INT (DE) 2011-09-14 — — EP disclosed
US-20110015207-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 — — US disclosed
EP-2097389-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY Boehringer Ingelheim International GmbH (DE) 2009-09-09 — — EP disclosed
WO-2008074795-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-26 — — 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-20150011564-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity HTR3B, HTR3A, HTR1E ALDH1A1 1411/4885RECQL 1266/4885MAPT 3196/4885
US-20150368204-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity HTR3B, HTR3A, HTR1E ALDH1A1 1404/4885RECQL 1292/4885MAPT 3295/4885
US-20110015207-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY HTR3A, HTR3B, NPSR1 ALDH1A1 1251/4885RECQL 1214/4885MAPT 4425/4885

“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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