SCHEMBL3003168

SCHEMBL3003168

Cc1cc(NC(=O)C(=O)c2c(Cl)n(Cc3ccc(Cl)cc3Cl)c3ccc(Cl)cc23)ccn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
JAK2 O60674 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SORT1 Q99523 1/20 0.39
PLA2G4A P47712 1/20 0.38
USP2 O75604 1/20 0.37
THRB P10828 1/20 0.37
KCNH2 Q12809 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 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
SCHEMBL3005756 0.95 FAAH (0.57) FAAHSMARCA2SMARCA4MAPK1SMN1; SMN2
SCHEMBL2999250 0.95 FAAH (0.48) FAAHSMARCA2SMARCA4MAPK1SMN1; SMN2
SCHEMBL4386885 0.94 FAAH (0.46) FAAHSMARCA2SMARCA4MAPK1SMN1; SMN2
SCHEMBL2996494 0.93 FAAH (0.46) FAAHSMARCA2SMARCA4SMN1; SMN2LMNA
SCHEMBL3005605 0.92 FAAH (0.52) FAAHSMARCA2SMARCA4MAPK1SMN1; SMN2
SCHEMBL3003646 0.92 FAAH (0.47) FAAHSMARCA2SMARCA4MAPK1SMN1; SMN2
SCHEMBL4083369 0.91 FAAH (0.48) FAAHSMARCA2SMARCA4LMNAALDH1A1
SCHEMBL2993334 0.90 FAAH (0.62) FAAHSMARCA2SMARCA4PLA2G4AMAPT
SCHEMBL4100722 0.89 FAAH (0.47) FAAHSMARCA2SMARCA4MAPK1SMN1; SMN2
SCHEMBL3007953 0.88 FAAH (0.57) FAAHSMARCA2SMARCA4SMN1; SMN2LMNA

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 4 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-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
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 (2 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 FAAH 109/4885SMARCA2 3712/4885SMARCA4 3782/4885
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.