SCHEMBL4099756

SCHEMBL4099756

COc1ccc2c(c1)c(C(=O)C(=O)Nc1nc(-c3ccncc3)co1)c(C)n2Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.53
PLA2G2A P14555 5/20 0.49
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
PKM P14618 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
RGS12 O14924 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
GNAI1 P63096 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
PTGS2 P35354 2/20 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
SCHEMBL2993468 0.93 PLA2G2A (0.56) FAAHPLA2G2AALDH1A1TSHRPKM
SCHEMBL4083902 0.92 FAAH (0.51) FAAHPLA2G2AALDH1A1TSHRPKM
SCHEMBL4089413 0.88 FAAH (0.56) FAAHPLA2G2AALDH1A1TSHRPKM
SCHEMBL2005660 0.85 ALDH1A1 (0.51) FAAHPLA2G2AALDH1A1TSHRPKM
SCHEMBL2999998 0.85 FAAH (0.63) FAAHPLA2G2AALDH1A1TSHRPKM
SCHEMBL3008136 0.85 FAAH (0.55) FAAHPLA2G2AALDH1A1TSHRPKM
SCHEMBL2169502 0.84 FAAH (0.69) FAAHPLA2G2AALDH1A1TSHRPKM
SCHEMBL4098078 0.84 TUBB4A (0.51) PLA2G2AALDH1A1MAPTLMNAKMT2A
SCHEMBL4386750 0.84 FAAH (0.47) FAAHPLA2G2AALDH1A1TSHRPKM
SCHEMBL2996196 0.81 FAAH (0.53) FAAHPLA2G2AALDH1A1TSHRPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 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-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885PLA2G2A 242/4885ALDH1A1 648/4885

“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.