SCHEMBL9985152

SCHEMBL9985152

COc1cc(CC#N)c(C(=O)Cl)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ELANE P08246 1/20 0.39
HMGCR P04035 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTR2A P28223 1/20 0.35
FFAR2 O15552 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL3972062 0.85 LCK (0.50) CYP3A4CYP1A2CYP2C19ELANEHMGCR
SCHEMBL14927073 0.78 NPC1 (0.33) KMT2ANPSR1ALDH1A1MAPT
SCHEMBL3969171 0.76 LCK (0.41) KMT2ALCKFYNNPSR1KDM4E
SCHEMBL6962075 0.75 ELANE (0.47) CYP3A4CYP1A2CYP2C19ELANEHTT
SCHEMBL8585268 0.74 HTR2A (0.45) CYP3A4CYP1A2HTTGAAKDM4E
SCHEMBL3968748 0.74 LCK (0.49) KMT2ALCKFYNKDM4EALDH1A1
SCHEMBL3969076 0.74 LMNA (0.43) CYP3A4HTTKMT2ALCKFYN
SCHEMBL3974525 0.74 ALDH1A1 (0.43) CYP1A2CYP2C19ELANEHTTLCK
SCHEMBL3971884 0.73 CTSV (0.52) ALDH1A1
SCHEMBL3974523 0.73 ALDH1A1 (0.42) CYP1A2CYP2C19ELANEHTTLCK

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-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US disclosed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 WO disclosed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 WO disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 WO disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 CYP3A4 2285/4885CYP1A2 2201/4885CYP2C19 1210/4885

“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.