SCHEMBL2162601

SCHEMBL2162601

COCc1c(C)n(Cc2ccc(F)cc2)c2ccc(C(=O)O)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
LMNA P02545 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
TSHR P16473 2/20 0.61
CYP2C19 P33261 2/20 0.61
PMP22 Q01453 2/20 0.61
BLM P54132 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPT P10636 8/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 2/20 0.51
PLA2G2A P14555 3/20 0.50
POLB P06746 1/20 0.49
PPARG P37231 2/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49
MEN1 O00255 1/20 0.48
RGS12 O14924 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL2161402 0.83 MAPT (0.67) MAPTTP53POLBPPARGMEN1
SCHEMBL2004276 0.78 PLA2G2A (0.60) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL2161521 0.76 MAPT (0.55) KDM4ECYP1A2CYP3A4CYP2C9TSHR
SCHEMBL1320560 0.76 LMNA (1.00) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL7963796 0.73 PLA2G2A (0.60) KDM4ELMNAMAPTPKMPLA2G2A
SCHEMBL2161474 0.73 KDM4E (0.50) KDM4ELMNACYP1A2CYP3A4CYP2C9
SCHEMBL27734727 0.72 PPARG (0.74) MAPTTP53PPARGMEN1ALDH1A1
SCHEMBL8300412 0.72 PLA2G2A (0.77) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL6238935 0.71 MMP13 (0.61) KDM4ENPSR1TP53
SCHEMBL2007900 0.71 PLA2G2A (0.63) KDM4ELMNACYP1A2CYP3A4CYP2C9

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-7985764-B2 Amide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-26 US disclosed
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-05 US disclosed
EP-1988076-A1 AMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-05 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-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF HTR7, HTR2B, NPSR1 KDM4E 3397/4885LMNA 4394/4885CYP1A2 2213/4885

“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.