SCHEMBL9970053

SCHEMBL9970053

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

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
PKM P14618 1/20 0.52
THRB P10828 1/20 0.50
YAP1 P46937 1/20 0.49
TEAD4 Q15561 1/20 0.49
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL2067634 0.94 HTR2B (0.49) HTR2BSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL9970054 0.90 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1PKMALDH1A1
SCHEMBL13962627 0.89 HTR2B (0.43) HTR2B
SCHEMBL2067968 0.88 SMN1; SMN2 (0.59) HTR2BSMN1; SMN2MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL2066855 0.87 SMN1; SMN2 (0.58) HTR2BSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL14899096 0.86 HTR2B (0.41) HTR2BPKMALDH1A1
SCHEMBL18536508 0.86 HTR2B (0.41) HTR2B
SCHEMBL2067359 0.86 HTR2B (0.41) HTR2B
SCHEMBL9970063 0.86 NPC1 (0.52) RAB9ANPC1KCNH2
SCHEMBL9970038 0.86 MCHR1 (0.51) HTR2BSMN1; SMN2RAB9ANPC1

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
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
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 HTR2B 3323/4885SMN1; SMN2 1764/4885MEN1 401/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 HTR2B 3323/4885SMN1; SMN2 1764/4885MEN1 401/4885

“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.