SCHEMBL960290

SCHEMBL960290

COc1ccc(NC(=O)CBr)c([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.68
▸ MEN1 O00255 6/20 0.68
▸ KMT2A Q03164 6/20 0.68
▸ SMN1; SMN2 Q16637 5/20 0.68
▸ RAB9A P51151 5/20 0.68
▸ NPC1 O15118 4/20 0.68
▸ MAPK1 P28482 3/20 0.68
▸ ALDH1A1 P00352 7/20 0.65
▸ POLB P06746 1/20 0.65
▸ HPGD P15428 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ PKM P14618 2/20 0.60

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
SCHEMBL31159573 0.86 MAPT (0.68) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL11776133 0.86 ALDH1A1 (0.69) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL31570127 0.86 ALDH1A1 (0.69) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8391902 0.83 MAPT (0.78) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL978809 0.83 RAB9A (0.73) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8784838 0.83 RAB9A (0.69) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL978808 0.83 RAB9A (0.73) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7917452 0.82 MAPK1 (0.80) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5524662 0.82 RAB9A (0.71) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL9368595 0.81 MEN1 (0.67) MAPTMEN1KMT2ASMN1; SMN2RAB9A

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 14 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
EP-1218352-B1 BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA (IT) 2004-05-12 — — EP disclosed
US-6686353-B1 PREVENTING BLOOD MONOCYTES AND LYMPHOCYTES FROM INFILTRATING TISSUE TEIJIN INTELLECTUAL PROPERTY CENTER LIMITED (JP) 2004-02-03 — — US disclosed
EP-1218352-A1 BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 2002-07-03 — — EP disclosed
EP-0914319-B1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2001-11-21 — — EP disclosed
US-6281218-B1 USEFUL IN THE TREATMENT OF CNS DISORDERS. INGELHEIM ITALIA S.P.A. (IT) 2001-08-28 — — US disclosed
WO-2001021593-A1 NEW BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 2001-03-29 — — WO disclosed
WO-1997044329-A9 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS — 1998-03-12 — — 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 MAPT 3196/4885MEN1 821/4885KMT2A 3350/4885
US-20150368204-A1 Sulfated Benzimidazolone Derivatives Having Mixed Serotonine Receptor Affinity HTR3B, HTR3A, HTR1E MAPT 3295/4885MEN1 884/4885KMT2A 3363/4885
US-20110015207-A1 SULFATED BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE RECEPTOR AFFINITY HTR3A, HTR3B, NPSR1 MAPT 4425/4885MEN1 922/4885KMT2A 3717/4885

“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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