SCHEMBL9729182

SCHEMBL9729182

O=C(Nc1nc(=O)c2ccccc2[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.70
RAB9A P51151 9/20 0.70
CCKBR P32239 1/20 0.56
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
KCNH2 Q12809 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
MAOB P27338 2/20 0.54
ADORA2A P29274 2/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54
PKM P14618 5/20 0.53
KLF5 Q13887 2/20 0.52
SCD O00767 1/20 0.52
OPRK1 P41145 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL30387611 1.00 NPC1 (0.70) NPC1RAB9ACCKBRKMT2ASMN1; SMN2
SCHEMBL9728941 0.89 NPC1 (0.67) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9728922 0.87 NPC1 (0.70) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9728959 0.84 RAB9A (0.72) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL11206434 0.82 NPC1 (1.00) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL9728665 0.79 NPC1 (0.57) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL13977066 0.78 KMT2A (0.69) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL30387562 0.78 KMT2A (0.69) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7456210 0.77 LMNA (0.65) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL9729002 0.76 ALPL (0.51) NPC1RAB9AKMT2ASMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084457-A Cognition activators and nervous system disorders AMERICAN CYANAMID COMPANY (US) 1992-01-28 US claimed
US-20230201206-A1 METHODS FOR KILLING ANTIBIOTIC TOLERANT BACTERIA THE PENN STATE RESEARCH FOUNDATION 2023-06-29 US disclosed
US-11654146-B2 Methods for killing antibiotic tolerant bacteria THE PENN STATE RESEARCH FOUNDATION (US) 2023-05-23 US disclosed
US-11654146-B2 Methods for killing antibiotic tolerant bacteria THE PENN STATE RESEARCH FOUNDATION (US) 2023-05-23 US disclosed
US-20210401843-A1 METHODS FOR KILLING ANTIBIOTIC TOLERANT BACTERIA THE PENN STATE RESEARCH FOUNDATION 2021-12-30 US disclosed
US-9221840-B2 Treating protein folding disorders with small molecule CFTR correctors DISCOVERYBIOMED INC. (US) 2015-12-29 US disclosed
US-9221840-B2 Treating protein folding disorders with small molecule CFTR correctors DISCOVERYBIOMED INC. (US) 2015-12-29 US disclosed
US-20140073632-A1 TREATING PROTEIN FOLDING DISORDERS WITH SMALL MOLECULE CFTR CORRECTORS THE UAB RESEARCH FOUNDATION (US) 2014-03-13 US disclosed
US-20140073632-A1 TREATING PROTEIN FOLDING DISORDERS WITH SMALL MOLECULE CFTR CORRECTORS THE UAB RESEARCH FOUNDATION (US) 2014-03-13 US disclosed
WO-2012158913-A2 TREATING PROTEIN FOLDING DISORDERS WITH SMALL MOLECULE CFTR CORRECTORS DISCOVERYBIOMED INC. (US) 2012-11-22 WO disclosed
US-5084457-A Cognition activators and nervous system disorders AMERICAN CYANAMID COMPANY (US) 1992-01-28 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 (4 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-20140073632-A1 TREATING PROTEIN FOLDING DISORDERS WITH SMALL MOLECULE CFTR CORRECTORS CFTR, CLCN2, SLC47A1 NPC1 48/4885RAB9A 337/4885CCKBR 3513/4885
US-11654146-B2 Methods for killing antibiotic tolerant bacteria CLPP, SPOUT1, CASP3 NPC1 1243/4885RAB9A 2358/4885CCKBR 1855/4885
US-20210401843-A1 METHODS FOR KILLING ANTIBIOTIC TOLERANT BACTERIA CLPP, SPOUT1, CASP3 NPC1 1243/4885RAB9A 2358/4885CCKBR 1855/4885
US-20230201206-A1 METHODS FOR KILLING ANTIBIOTIC TOLERANT BACTERIA CLPP, SPOUT1, CASP3 NPC1 1243/4885RAB9A 2358/4885CCKBR 1855/4885

“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.