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SCHEMBL2999250

SCHEMBL2999250

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMARCA2 P51531 1/20 0.39
▸ SMARCA4 P51532 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ GALR3 O60755 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ MAPT P10636 2/20 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
SCHEMBL3003168 0.95 FAAH (0.51) FAAHSMARCA2SMARCA4ALDH1A1SMN1; SMN2
SCHEMBL3005756 0.92 FAAH (0.57) FAAHSMARCA2SMARCA4ALDH1A1SMN1; SMN2
SCHEMBL3005624 0.91 FAAH (0.46) FAAHL3MBTL1SMARCA2SMARCA4ALDH1A1
SCHEMBL2996494 0.90 FAAH (0.46) FAAHSMARCA2SMARCA4ALDH1A1SMN1; SMN2
SCHEMBL3004533 0.89 FAAH (0.59) FAAHSMARCA2SMARCA4ALDH1A1LMNA
SCHEMBL4088941 0.89 FAAH (0.45) FAAHL3MBTL1SMARCA2SMARCA4ALDH1A1
SCHEMBL3005605 0.89 FAAH (0.52) FAAHSMARCA2SMARCA4ALDH1A1SMN1; SMN2
SCHEMBL4386885 0.89 FAAH (0.46) FAAHL3MBTL1SMARCA2SMARCA4ALDH1A1
SCHEMBL3003646 0.88 FAAH (0.47) FAAHSMARCA2SMARCA4SMN1; SMN2LMNA
SCHEMBL3005180 0.88 JAK2 (0.42) FAAHL3MBTL1ALDH1A1LMNAJAK2

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 7 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
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 — — CN 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
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 (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 109/4885L3MBTL1 2079/4885SMARCA2 3712/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885L3MBTL1 2963/4885SMARCA2 3375/4885

“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.