SCHEMBL9970054

SCHEMBL9970054

COc1cccc(C(=O)N[C@@H]2CCN(C)[C@@H](c3nc4ccccc4[nH]3)C2)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.54
MCHR1 Q99705 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
GRM5 P41594 1/20 0.48
MAPK1 P28482 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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 SCHEMBL2068008 0.94 NPC1 (0.49) SMN1; SMN2NPC1PKMRAB9AMCHR1
SCHEMBL9970053 0.90 HTR2B (0.55) SMN1; SMN2NPC1PKMRAB9AALDH1A1
SCHEMBL9970038 0.85 MCHR1 (0.51) SMN1; SMN2NPC1RAB9AMCHR1TSHR
SCHEMBL9970059 0.85 CXCR6 (0.46) SMN1; SMN2NPC1RAB9AMCHR1TSHR
Trifluoroacetic Acid SCHEMBL2067634 0.84 HTR2B (0.49) SMN1; SMN2NPC1PKMRAB9AALDH1A1
SCHEMBL9970061 0.84 EPHX2 (0.48)
SCHEMBL13962627 0.83 HTR2B (0.43)
SCHEMBL18536664 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1PKMRAB9AMCHR1
SCHEMBL2067968 0.82 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL9970063 0.82 NPC1 (0.52) NPC1RAB9A

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 SMN1; SMN2 1764/4885NPC1 2444/4885PKM 349/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 SMN1; SMN2 1764/4885NPC1 2444/4885PKM 349/4885

“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.