SCHEMBL9970030

SCHEMBL9970030

CN1CC[C@@H](NC(=O)NC2CCCC2)C[C@@H]1c1nc2ccccc2[nH]1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.48
USP30 Q70CQ3 1/20 0.46
GID4 Q8IVV7 1/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PARP1 P09874 1/20 0.44

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 SCHEMBL2069165 0.99 NPC1 (0.53) NPC1RAB9ASMN1; SMN2USP30GID4
SCHEMBL2068332 0.88 NPC1 (0.47) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL18536579 0.88 NPC1 (0.47) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL10173880 0.87 GID4 (0.52) SMN1; SMN2GID4
Hydrochloric Acid SCHEMBL2067434 0.87 NPC1 (0.46) NPC1RAB9ASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL2066780 0.86 GID4 (0.51) SMN1; SMN2GID4
SCHEMBL9970051 0.86 GID4 (0.54) GID4
SCHEMBL9970011 0.85 NPC1 (0.44) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL2068282 0.84 EPHX2 (0.45) NPC1RAB9ASMN1; SMN2USP30POLB
Hydrochloric Acid SCHEMBL2067203 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2POLB

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 NPC1 2444/4885RAB9A 1426/4885SMN1; SMN2 1764/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 NPC1 2444/4885RAB9A 1426/4885SMN1; SMN2 1764/4885

“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.