SCHEMBL3000300

SCHEMBL3000300

O=C(Nc1ccnc(Cl)c1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
SMARCA2 P51531 5/20 0.40
SMARCA4 P51532 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BRAF P15056 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL4100627 0.95 FAAH (0.45) FAAHSMARCA2SMARCA4EPHX2ALDH1A1
SCHEMBL4088941 0.92 FAAH (0.45) FAAHSMARCA2SMARCA4L3MBTL1EPHX2
SCHEMBL3004476 0.91 FAAH (0.53) FAAHSMARCA2SMARCA4EPHX2BRAF
SCHEMBL2998499 0.91 JAK2 (0.39) FAAHL3MBTL1EPHX2ALDH1A1LMNA
SCHEMBL4083926 0.90 LMNA (0.41) FAAHSMARCA2SMARCA4EPHX2ALDH1A1
SCHEMBL3105462 0.90 FAAH (0.53) FAAHSMARCA2SMARCA4ALDH1A1MAPT
SCHEMBL3005624 0.89 FAAH (0.46) FAAHSMARCA2SMARCA4L3MBTL1ALDH1A1
SCHEMBL3006995 0.89 FAAH (0.48) FAAHSMARCA2SMARCA4ALDH1A1LMNA
SCHEMBL3001593 0.89 L3MBTL1 (0.41) FAAHL3MBTL1EPHX2ALDH1A1LMNA
SCHEMBL2999781 0.88 FAAH (0.43) FAAHSMARCA2SMARCA4EPHX2ALDH1A1

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 109/4885SMARCA2 3712/4885SMARCA4 3782/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885SMARCA2 3375/4885SMARCA4 3200/4885

“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.