SCHEMBL3010601

SCHEMBL3010601

O=C(Nc1ncccn1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
PPARG P37231 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 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
SCHEMBL3006976 0.93 FAAH (0.45) FAAHMEN1KMT2AMAPTALDH1A1
SCHEMBL3007458 0.93 FAAH (0.56) FAAHPPARGMEN1KMT2ACYP3A4
SCHEMBL3006416 0.91 TUBB4A (0.43) FAAHMEN1KMT2ACYP3A4TUBB4A
SCHEMBL4099748 0.90 FAAH (0.50) FAAHMEN1KMT2ACYP3A4MAPT
SCHEMBL4088892 0.90 EPHX2 (0.40) FAAHMEN1KMT2ACYP3A4MAPT
SCHEMBL4090183 0.90 KMT2A (0.45) FAAHPPARGMEN1KMT2ACYP3A4
SCHEMBL4088383 0.89 FAAH (0.46) FAAHCYP3A4
SCHEMBL3004997 0.87 FAAH (0.50) FAAHPPARGMEN1KMT2ACYP3A4
SCHEMBL3007524 0.87 FAAH (0.48) FAAHPPARGMEN1KMT2ACYP3A4
SCHEMBL4096106 0.86 FAAH (0.51) FAAHMEN1KMT2AMAPTTUBB4A

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 4 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
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 109/4885PPARG 686/4885MEN1 3970/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885PPARG 584/4885MEN1 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.