SCHEMBL9970039

SCHEMBL9970039

COc1cncc(NC(=O)N[C@@H]2CCN(C)[C@@H](c3nc4ccccc4[nH]3)C2)c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HTR2B P41595 1/20 0.41
YAP1 P46937 1/20 0.41
TEAD4 Q15561 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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 SCHEMBL2069304 0.99 SMN1; SMN2 (0.46) SMN1; SMN2HTR2BYAP1TEAD4ALDH1A1
SCHEMBL13962126 0.89 PRMT5 (0.43) RAB9ANPC1
SCHEMBL9970025 0.89 PRMT5 (0.43) RAB9ANPC1
SCHEMBL2067968 0.89 SMN1; SMN2 (0.59) SMN1; SMN2HTR2BYAP1TEAD4ALDH1A1
Hydrochloric Acid SCHEMBL2067356 0.88 PRMT5 (0.42) RAB9ANPC1
Hydrochloric Acid SCHEMBL2066855 0.88 SMN1; SMN2 (0.58) SMN1; SMN2HTR2BYAP1TEAD4ALDH1A1
SCHEMBL2068584 0.86 SMN1; SMN2 (0.45) SMN1; SMN2MAPTPOLBRAB9ANPC1
SCHEMBL18536513 0.85 EPHX2 (0.50) HTR2BPOLBRAB9ANPC1MEN1
SCHEMBL9970028 0.85 EPHX2 (0.50) HTR2BPOLBRAB9ANPC1MEN1
Hydrochloric Acid SCHEMBL2069174 0.85 SMN1; SMN2 (0.45) SMN1; SMN2MAPTPOLBRAB9ANPC1

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 1764/4885HTR2B 3323/4885YAP1 4488/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 SMN1; SMN2 1764/4885HTR2B 3323/4885YAP1 4488/4885

“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.