SCHEMBL2067968

SCHEMBL2067968

COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H](c3nc4ccccc4[nH]3)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.49
HTR2B P41595 1/20 0.48
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
EPHX2 P34913 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EPHX1 P07099 1/20 0.46
YAP1 P46937 1/20 0.45
TEAD4 Q15561 1/20 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
Hydrochloric Acid SCHEMBL2066855 0.99 SMN1; SMN2 (0.58) SMN1; SMN2POLBMAPTHTR2BMEN1
SCHEMBL18536579 0.91 NPC1 (0.47) SMN1; SMN2POLBMAPTALDH1A1KMT2A
SCHEMBL2068332 0.91 NPC1 (0.47) SMN1; SMN2POLBMAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL2067434 0.90 NPC1 (0.46) SMN1; SMN2POLBMAPTALDH1A1KMT2A
SCHEMBL2069264 0.90 EPHX2 (0.52) HTR2BEPHX2EPHX1
SCHEMBL2068282 0.89 EPHX2 (0.45) SMN1; SMN2POLBMAPTALDH1A1EPHX2
Hydrochloric Acid SCHEMBL2067257 0.89 EPHX2 (0.52) HTR2BEPHX2EPHX1
SCHEMBL9970039 0.89 SMN1; SMN2 (0.47) SMN1; SMN2POLBMAPTHTR2BMEN1
Hydrochloric Acid SCHEMBL2067255 0.88 EPHX2 (0.45) SMN1; SMN2POLBMAPTALDH1A1EPHX2
Hydrochloric Acid SCHEMBL2069304 0.88 SMN1; SMN2 (0.46) SMN1; SMN2POLBMAPTHTR2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170860-B9 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2017-02-22 EP claimed
EP-2170860-B1 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2016-11-02 EP claimed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US claimed
EP-2170860-A2 BENZIMIDAZOLE DERIVATIVES Pfizer Inc. (US) 2010-04-07 EP claimed
WO-2009004427-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2009-01-08 WO claimed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US claimed
EP-2170860-B9 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2017-02-22 EP disclosed
EP-2170860-B1 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2016-11-02 EP disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
EP-2170860-A2 BENZIMIDAZOLE DERIVATIVES Pfizer Inc. (US) 2010-04-07 EP disclosed
WO-2009004427-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2009-01-08 WO disclosed
WO-2009004427-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2009-01-08 WO disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US 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-20090005416-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 SMN1; SMN2 1764/4885POLB 1131/4885MAPT 4594/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 SMN1; SMN2 1764/4885POLB 1131/4885MAPT 4594/4885

“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.