SCHEMBL3000386

SCHEMBL3000386

Cc1ccc2c(c1)c(C(=O)C(=O)Nc1cccc(Cl)c1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.56
MAPT P10636 5/20 0.47
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
NLRP3 Q96P20 1/20 0.41

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
SCHEMBL3000294 0.93 FAAH (0.47) FAAHMAPTMEN1HTTKMT2A
SCHEMBL3002136 0.93 FAAH (0.56) FAAHMAPTMEN1HTTKMT2A
SCHEMBL3003091 0.92 FAAH (0.58) FAAHMAPTMEN1HTTKMT2A
SCHEMBL3002650 0.91 FAAH (0.59) FAAHMAPTHTTSMN1; SMN2
SCHEMBL4096099 0.90 FAAH (0.46) FAAHMAPTMEN1HTTKMT2A
SCHEMBL4099768 0.90 MEN1 (0.45) FAAHMAPTMEN1KMT2AALDH1A1
SCHEMBL2996357 0.89 MAPT (0.47) FAAHMAPTTHRB
SCHEMBL2994830 0.89 FAAH (0.50) FAAHMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3005474 0.88 FAAH (0.55) FAAHMEN1HTTKMT2A
SCHEMBL2170308 0.88 FAAH (0.61) FAAHMAPTMEN1HTTKMT2A

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
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

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 109/4885MAPT 997/4885MEN1 3970/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885MAPT 2737/4885MEN1 4573/4885

“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.