SCHEMBL4100627

SCHEMBL4100627

O=C(Nc1ccnc(Cl)c1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
SMARCA2 P51531 6/20 0.42
SMARCA4 P51532 5/20 0.42
EPHX2 P34913 2/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
HDAC4 P56524 1/20 0.34
NR2E1 Q9Y466 1/20 0.34
P2RX7 Q99572 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL3000300 0.95 FAAH (0.43) FAAHSMARCA2SMARCA4EPHX2ALDH1A1
SCHEMBL3004476 0.94 FAAH (0.53) FAAHSMARCA2SMARCA4EPHX2NR2E1
SCHEMBL4083926 0.93 LMNA (0.41) FAAHSMARCA2SMARCA4EPHX2ALDH1A1
SCHEMBL3006995 0.92 FAAH (0.48) FAAHSMARCA2SMARCA4ALDH1A1LMNA
SCHEMBL4100722 0.91 FAAH (0.47) FAAHSMARCA2SMARCA4EPHX2ALDH1A1
SCHEMBL2999781 0.91 FAAH (0.43) FAAHSMARCA2SMARCA4EPHX2ALDH1A1
SCHEMBL3008471 0.90 TYK2 (0.42) FAAHEPHX2ALDH1A1LMNAMAPT
SCHEMBL3108612 0.90 FAAH (0.55) FAAHSMARCA2SMARCA4MAPTIDO1
SCHEMBL4384201 0.88 FAAH (0.53) FAAHSMARCA2SMARCA4EPHX2ALDH1A1
SCHEMBL4083369 0.88 FAAH (0.48) FAAHSMARCA2SMARCA4ALDH1A1LMNA

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-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 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-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885SMARCA2 3375/4885SMARCA4 3200/4885

“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.