SCHEMBL4198225

SCHEMBL4198225

C[C@@H](CC1CCCCC1)NCc1ccccc1NC(=O)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.44
CTSS P25774 4/20 0.44
CTSB P07858 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.41
F2RL1 P55085 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
DRD1 P21728 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 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
SCHEMBL4190624 1.00 CTSL (0.44) CTSLCTSSCTSBKMT2ATP53
SCHEMBL4197332 1.00 CTSL (0.44) CTSLCTSSCTSBKMT2ATP53
SCHEMBL4192323 0.99 KMT2A (0.44) CTSLCTSSCTSBKMT2ATP53
SCHEMBL4186006 0.99 KMT2A (0.44) CTSLCTSSCTSBKMT2ATP53
SCHEMBL4201586 0.90 KMT2A (0.43) KMT2ATP53NPSR1HSD17B10ALDH1A1
SCHEMBL4190853 0.89 LDLR (0.49) TP53ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL4203591 0.89 LDLR (0.49) TP53ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL4190138 0.88 LDLR (0.48) TP53ALDH1A1KDM4EL3MBTL1GAA
SCHEMBL4184490 0.88 MEN1 (0.47) CTSLKMT2ANPSR1ALDH1A1RAB9A
SCHEMBL4193519 0.88 MEN1 (0.47) CTSLKMT2ANPSR1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP claimed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US claimed
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP disclosed
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US disclosed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 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 (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-20090215764-A1 Antimicrobial agents TUFM, RPS17, HARS1 CTSL 1074/4885CTSS 465/4885CTSB 1227/4885

“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.