SCHEMBL16264377

SCHEMBL16264377

CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccnc(NC(=O)N2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.54
KCNH2 Q12809 3/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.40
PRKCI P41743 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 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
SCHEMBL16264365 0.93 CYP2C9 (0.54) CYP2C9KCNH2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL16264478 0.91 CYP2C9 (0.52) CYP2C9KCNH2RAB9AALDH1A1SMN1; SMN2
SCHEMBL17903632 0.91 CYP2C9 (0.51) CYP2C9KCNH2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL16264381 0.90 CYP2C9 (0.51) CYP2C9KCNH2KMT2AMEN1MAPT
SCHEMBL17903914 0.90 KCNH2 (0.43) CYP2C9KCNH2RAB9AALDH1A1SMN1; SMN2
SCHEMBL17903916 0.89 CYP2C9 (0.50) CYP2C9KCNH2KMT2AKDM4EMEN1
SCHEMBL16264546 0.85 CYP2C9 (0.58) CYP2C9KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL16264472 0.85 CYP2C9 (0.58) CYP2C9NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17903908 0.83 CYP2C9 (0.56) CYP2C9KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL17906100 0.83 CYP2C9 (0.55) CYP2C9KCNH2NPC1RAB9ASMN1; SMN2

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-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 US disclosed
US-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-07-07 US disclosed
WO-2014190199-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-11-27 WO 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 (1 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-20160194299-A1 COMPOUNDS FOR TREATMENT OF DRUG RESISTANT AND PERSISTENT TUBERCULOSIS FNTB, PGLS, EP300 CYP2C9 1792/4885KCNH2 4473/4885NPC1 386/4885

“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.