SCHEMBL9959514

SCHEMBL9959514

COc1cnc2c(c1)cc(C)n2Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
DCTPP1 Q9H773 2/20 0.42
PDE1B Q01064 6/20 0.42
PDE1A P54750 4/20 0.42
PDE1C Q14123 4/20 0.42
MDM4 O15151 1/20 0.42
MDM2 Q00987 1/20 0.42
USP2 O75604 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPK1 P28482 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL3088330 0.84 TP53 (0.46) TP53ALDH1A1DCTPP1PDE1BMDM4
SCHEMBL3103070 0.83 ALDH1A1 (0.40) TP53ALDH1A1KDM4EMAPTPDE1B
SCHEMBL3096637 0.81 MAPT (0.52) ALDH1A1KDM4EMAPTUSP2CYP1A2
SCHEMBL3090980 0.78 LMNA (0.48) TP53ALDH1A1KDM4EMAPTMDM2
SCHEMBL3095865 0.78 CCR2 (0.43) TP53ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL3095854 0.78 CCR2 (0.43) TP53ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL12966284 0.77 P2RX3 (0.46) TP53ALDH1A1KDM4EMAPTPDE1B
SCHEMBL3091570 0.77 P2RX3 (0.45) TP53ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL6085520 0.77 CCR2 (0.56) TP53ALDH1A1KDM4EMAPTALOX15
SCHEMBL30844183 0.77 PTGS2 (0.49) ALDH1A1KDM4EMAPTALOX15DCTPP1

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
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
US-20150175599-A1 FAAH Inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
EP-2655356-A1 FAAH INHIBITORS Ironwood Pharmaceuticals, Inc. (US) 2013-10-30 EP disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO 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-20150175599-A1 FAAH Inhibitors FAAH, FAAH2, ASAH1 TP53 4785/4885ALDH1A1 314/4885KDM4E 2260/4885

“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.