SCHEMBL4190853

SCHEMBL4190853

C[C@@H](CC1CCCCC1)NCc1ccccc1NC(=O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDLR P01130 2/20 0.49
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
ABCB1 P08183 1/20 0.46
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4203591 1.00 LDLR (0.49) LDLRALDH1A1ALOX15HTTL3MBTL1
SCHEMBL4190138 0.99 LDLR (0.48) LDLRALDH1A1ALOX15HTTL3MBTL1
SCHEMBL4190624 0.89 CTSL (0.44) LDLRALDH1A1L3MBTL1MAPTTP53
SCHEMBL4198225 0.89 CTSL (0.44) LDLRALDH1A1L3MBTL1MAPTTP53
SCHEMBL4197332 0.89 CTSL (0.44) LDLRALDH1A1L3MBTL1MAPTTP53
SCHEMBL14344031 0.89 LDLR (0.50) LDLRALDH1A1ALOX15HTTL3MBTL1
SCHEMBL4186006 0.88 KMT2A (0.44) ALDH1A1L3MBTL1MAPTHDAC1TP53
SCHEMBL4192323 0.88 KMT2A (0.44) ALDH1A1L3MBTL1MAPTHDAC1TP53
SCHEMBL4184490 0.83 MEN1 (0.47) ALDH1A1HTTHDAC1HDAC3HDAC2
SCHEMBL4193519 0.83 MEN1 (0.47) ALDH1A1HTTHDAC1HDAC3HDAC2

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 LDLR 4545/4885ALDH1A1 2744/4885ALOX15 4033/4885

“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.