SCHEMBL3006284

SCHEMBL3006284

Cc1ccc2c(c1)c(C(=O)C(=O)NC1CCC1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
CNR2 P34972 3/20 0.42
TP53 P04637 4/20 0.41
PPARG P37231 1/20 0.38
CNR1 P21554 1/20 0.37
PLA2G2A P14555 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL3005497 0.98 FAAH (0.46) FAAHKMT2AMEN1HTTCNR2
SCHEMBL3006611 0.97 FAAH (0.46) FAAHKMT2AMEN1HTTCNR2
SCHEMBL4391954 0.96 FAAH (0.45) FAAHKMT2AMEN1HTTCNR2
SCHEMBL2999872 0.96 FAAH (0.47) FAAHKMT2AMEN1HTTCNR2
SCHEMBL4386783 0.94 FAAH (0.46) FAAHKMT2AMEN1HTTCNR2
SCHEMBL4381898 0.93 FAAH (0.43) FAAHKMT2AMEN1HTTCNR2
SCHEMBL3006187 0.93 CNR2 (0.41) FAAHKMT2AMEN1CNR2TP53
SCHEMBL3005482 0.91 CNR2 (0.42) FAAHKMT2ACNR2TP53CNR1
SCHEMBL3010320 0.90 S1PR3 (0.42) FAAHKMT2AMEN1HTTTP53
SCHEMBL3008931 0.90 POLB (0.44) FAAHKMT2ACNR2TP53CNR1

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