SCHEMBL4098737

SCHEMBL4098737

O=C(Nc1cccc(Cl)c1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
TRPV1 Q8NER1 4/20 0.40
EPHX2 P34913 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
ALOX12 P18054 1/20 0.39
PYGL P06737 1/20 0.38
MTOR P42345 1/20 0.37
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL3006717 0.95 THRB (0.42) EPHX2THRBMEN1KMT2AMAPT
SCHEMBL3009423 0.94 MEN1 (0.46) L3MBTL1TRPV1EPHX2MEN1KMT2A
SCHEMBL3001593 0.92 L3MBTL1 (0.41) L3MBTL1TRPV1EPHX2MEN1KMT2A
SCHEMBL4378914 0.91 THRB (0.46) EPHX2THRBMEN1KMT2AMAPT
SCHEMBL3008418 0.91 PTGER3 (0.41) L3MBTL1TRPV1MAPTHTTFAAH
SCHEMBL4096099 0.90 FAAH (0.46) L3MBTL1EPHX2THRBMEN1KMT2A
SCHEMBL3001227 0.90 THRB (0.47) EPHX2THRBMEN1KMT2AMAPT
SCHEMBL4099768 0.90 MEN1 (0.45) TRPV1MEN1KMT2AMAPTALDH1A1
SCHEMBL3001646 0.89 MEN1 (0.42) L3MBTL1EPHX2MEN1KMT2AMAPT
SCHEMBL2998499 0.89 JAK2 (0.39) L3MBTL1TRPV1EPHX2MEN1KMT2A

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 3 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

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 L3MBTL1 2963/4885TRPV1 40/4885EPHX2 254/4885

“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.