SCHEMBL4099768

SCHEMBL4099768

O=C(Nc1cccc(Cl)c1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FAAH O00519 1/20 0.45
MTOR P42345 1/20 0.41
MAPT P10636 3/20 0.40
NLRP3 Q96P20 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL3000294 0.94 FAAH (0.47) MEN1KMT2AFAAHMAPTALDH1A1
SCHEMBL3004867 0.93 MEN1 (0.53) MEN1KMT2AFAAHMAPTALDH1A1
SCHEMBL3005706 0.91 MEN1 (0.46) MEN1KMT2AFAAHMAPTALDH1A1
SCHEMBL4098737 0.90 L3MBTL1 (0.41) MEN1KMT2AFAAHMTORMAPT
SCHEMBL3000386 0.90 FAAH (0.56) MEN1KMT2AFAAHMAPTNLRP3
SCHEMBL3010325 0.90 MAPT (0.49) MEN1KMT2AFAAHMAPTALDH1A1
SCHEMBL2996357 0.90 MAPT (0.47) FAAHMAPT
SCHEMBL2998909 0.88 PDE4A (0.47) MEN1KMT2AFAAH
SCHEMBL2994830 0.88 FAAH (0.50) MEN1KMT2AFAAHMAPTALDH1A1
SCHEMBL4090405 0.88 MEN1 (0.48) MEN1KMT2AFAAHMTORMAPT

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
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-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 (1 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-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 MEN1 4573/4885KMT2A 2103/4885FAAH 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.