SCHEMBL4186522

SCHEMBL4186522

C[C@@H](CC1CCCCC1)NCc1ccccc1NC(=O)Nc1nccs1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCK P35557 12/20 0.48
POLB P06746 1/20 0.46
EPHX2 P34913 1/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 1/20 0.44
FFAR2 O15552 1/20 0.43
AURKA O14965 1/20 0.43
PIM1 P11309 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4196799 0.82 CCR3 (0.50) EPHX2MEN1TSHRKMT2AKDM4E
SCHEMBL4196629 0.82 KMT2A (0.48) POLBMEN1KMT2A
SCHEMBL4197445 0.82 KMT2A (0.48) POLBMEN1KMT2A
SCHEMBL4195095 0.82 KMT2A (0.48) POLBMEN1KMT2A
SCHEMBL4197557 0.81 NPC1 (0.54) POLBEPHX2MEN1KMT2AKDM4E
SCHEMBL4192548 0.79 KMT2A (0.47) POLBEPHX2MEN1TSHRKMT2A
SCHEMBL4196843 0.79 EPHX1 (0.52) MEN1KMT2AGSK3BKDM4E
SCHEMBL4193053 0.79 TP53 (0.52) POLBMEN1KMT2AKDM4E
SCHEMBL4204460 0.79 NPY1R (0.42)
SCHEMBL4193564 0.79 HTT (0.56) POLBEPHX2MEN1KMT2A

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 GCK 725/4885POLB 215/4885EPHX2 3559/4885

“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.