SCHEMBL9970047

SCHEMBL9970047

CN1CC[C@@H](NC(=O)Cn2ncc3ccccc32)C[C@@H]1c1nc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
GID4 Q8IVV7 2/20 0.44
CXCR3 P49682 1/20 0.42
THRB P10828 1/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40

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 SCHEMBL2068343 0.94 NPC1 (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1TSHR
SCHEMBL13490466 0.84 RAB9A (0.55) NPC1RAB9ASMN1; SMN2L3MBTL1TSHR
SCHEMBL9970052 0.83 GID4 (0.46) L3MBTL1GID4POLB
SCHEMBL13962403 0.83 NPC1 (0.54) NPC1RAB9ASMN1; SMN2L3MBTL1TSHR
SCHEMBL9970051 0.82 GID4 (0.54) GID4HSD17B10ALDH1A1
SCHEMBL9970049 0.82 GID4 (0.45) L3MBTL1GID4POLB
SCHEMBL13962402 0.82 GID4 (0.45) L3MBTL1GID4POLB
SCHEMBL9970046 0.80 GID4 (0.43) NPC1RAB9ASMN1; SMN2GID4HSD17B10
SCHEMBL9970062 0.79 LMNA (0.51) GID4LMNA
SCHEMBL13962371 0.79 CHRNA7 (0.46) GID4

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.