SCHEMBL2997974

SCHEMBL2997974

COc1ccc(NC(=O)C(=O)c2c(C(F)(F)F)n(Cc3ccc(Cl)cc3Cl)c3ccc(O)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
PLA2G2A P14555 1/20 0.40
FAAH O00519 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 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
SCHEMBL2996462 0.95 KCNH2 (0.45) KCNH2PLA2G2AFAAHMEN1KMT2A
SCHEMBL4386892 0.95 MEN1 (0.41) KCNH2PLA2G2AFAAHMEN1KMT2A
SCHEMBL2995848 0.94 KMT2A (0.45) KCNH2PLA2G2AFAAHMEN1KMT2A
SCHEMBL3008225 0.93 PLA2G2A (0.45) KCNH2PLA2G2AFAAHMEN1KMT2A
SCHEMBL3001593 0.92 L3MBTL1 (0.41) FAAHMEN1KMT2AL3MBTL1MAPT
SCHEMBL2991509 0.92 FAAH (0.48) KCNH2PLA2G2AFAAHMEN1KMT2A
SCHEMBL3008418 0.91 PTGER3 (0.41) PLA2G2AFAAHL3MBTL1MAPTSMN1; SMN2
SCHEMBL3008455 0.90 MEN1 (0.42) KCNH2PLA2G2AFAAHMEN1KMT2A
SCHEMBL3006333 0.90 MAPT (0.43) KCNH2MAPTSMN1; SMN2RXFP1
SCHEMBL4093436 0.90 FAAH (0.49) KCNH2PLA2G2AFAAHMEN1KMT2A

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 KCNH2 2066/4885PLA2G2A 3285/4885FAAH 109/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 KCNH2 1943/4885PLA2G2A 242/4885FAAH 1/4885

“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.