SCHEMBL2610072

SCHEMBL2610072

O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.78
RAB9A P51151 12/20 0.78
SMN1; SMN2 Q16637 7/20 0.78
TP53 P04637 5/20 0.78
NFKB1 P19838 2/20 0.78
NFKB2 Q00653 2/20 0.78
RELA Q04206 2/20 0.78
PKM P14618 1/20 0.78
KMT2A Q03164 5/20 0.74
MEN1 O00255 4/20 0.74
TSHR P16473 3/20 0.70
LMNA P02545 1/20 0.70
KDM4E B2RXH2 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
MAPT P10636 4/20 0.69
ATM Q13315 2/20 0.69
ALDH1A1 P00352 1/20 0.69
HSD17B10 Q99714 1/20 0.69
THRB P10828 1/20 0.69
RXFP1 Q9HBX9 1/20 0.69

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
SCHEMBL13219614 0.88 NPC1 (0.70) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL5866982 0.88 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL7567703 0.87 NPC1 (0.80) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL3618549 0.85 NPC1 (0.78) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL13779310 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL15798260 0.84 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL5867026 0.84 NPC1 (0.71) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL13219602 0.82 KDM4E (0.65) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL27623318 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL30398266 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53NFKB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-09 US disclosed
US-8969342-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2015-03-03 US disclosed
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 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-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 NPC1 641/4885RAB9A 1748/4885SMN1; SMN2 4251/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 NPC1 641/4885RAB9A 1748/4885SMN1; SMN2 4251/4885

“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.