SCHEMBL3000642

SCHEMBL3000642

Cc1ccc2c(c1)c(C(=O)C(=O)NC1CC1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
CNR2 P34972 3/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
AKR1B1 P15121 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
CYP2C9 P11712 2/20 0.39
MAPT P10636 2/20 0.39
F10 P00742 1/20 0.39
RGS12 O14924 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3000282 0.96 FAAH (0.49) FAAHMEN1KMT2AHTTCNR2
SCHEMBL3008221 0.96 FAAH (0.49) FAAHMEN1KMT2AHTTCNR2
SCHEMBL3005273 0.95 FAAH (0.49) FAAHMEN1KMT2AHTTCNR2
SCHEMBL3000093 0.91 LMNA (0.45) FAAHMEN1KMT2ACNR2LMNA
SCHEMBL3001904 0.88 MAPT (0.45) FAAHMEN1KMT2AHTTCNR2
SCHEMBL2995185 0.88 CNR2 (0.41) FAAHMEN1KMT2AHTTCNR2
SCHEMBL2998737 0.87 POLB (0.46) FAAHMEN1KMT2ACNR2LMNA
SCHEMBL3005561 0.87 CNR2 (0.43) FAAHMEN1KMT2ACNR2LMNA
SCHEMBL2999872 0.87 FAAH (0.47) FAAHMEN1KMT2AHTTCNR2
SCHEMBL2992971 0.87 FAAH (0.57) FAAHMEN1KMT2AHTTCNR2

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 109/4885MEN1 3970/4885KMT2A 2233/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885MEN1 4573/4885KMT2A 2103/4885

“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.