SCHEMBL3554154

SCHEMBL3554154

COc1ccc(C(C(=O)O)c2ccc(F)nc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
NNMT P40261 1/20 0.43
CHRNA7 P36544 1/20 0.41
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
NR3C1 P04150 1/20 0.37
OXTR P30559 2/20 0.37
HTT P42858 1/20 0.37
FOLH1 Q04609 1/20 0.37
TDO2 P48775 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL3550308 0.91 KMT2A (0.52) KMT2AALDH1A1POLBNNMTCHRNA7
SCHEMBL3554668 0.86 EPHX2 (0.41) FOLH1MMP2MMP9MMP8MMP13
SCHEMBL3552887 0.80 CTSA (0.39) KMT2AALDH1A1POLBMEN1LMNA
SCHEMBL3554264 0.80 EPHX2 (0.47) ALDH1A1POLBLMNAFOLH1
SCHEMBL3556077 0.80 HDAC3 (0.44) ALDH1A1NPC1LMNASMN1; SMN2FOLH1
SCHEMBL10317483 0.76 NPSR1 (0.49) KMT2AALDH1A1POLBNNMTCHRNA7
SCHEMBL6069865 0.76 PTGS2 (0.49) KMT2AALDH1A1POLBNNMTCHRNA7
SCHEMBL6069855 0.76 PTGS2 (0.49) KMT2AALDH1A1POLBNNMTCHRNA7
SCHEMBL10318613 0.76 NPSR1 (0.49) KMT2AALDH1A1POLBNNMTCHRNA7
SCHEMBL21946939 0.76 HRH1 (0.36) KMT2ANNMTCHRNA7MEN1OXTR

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-7727998-B2 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 US disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 EP 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-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR KMT2A 1378/4885ALDH1A1 953/4885POLB 2699/4885

“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.