SCHEMBL4090183

SCHEMBL4090183

O=C(Nc1ccccn1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
FAAH O00519 1/20 0.45
KCNMA1 Q12791 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PPARG P37231 2/20 0.39
PTGER1 P34995 1/20 0.39
MEN1 O00255 1/20 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
PKM P14618 2/20 0.39
MITF O75030 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 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
SCHEMBL4100635 0.94 FAAH (0.43) KMT2AFAAHKCNMA1NPC1RAB9A
SCHEMBL4089949 0.93 FAAH (0.54) KMT2AFAAHNPC1RAB9APTGER1
SCHEMBL4087908 0.93 KMT2A (0.47) KMT2AFAAHNPC1RAB9APPARG
SCHEMBL4095302 0.91 FAAH (0.48) KMT2AFAAHNPC1RAB9AMEN1
SCHEMBL4089089 0.90 NPC1 (0.41) KMT2AFAAHKCNMA1NPC1RAB9A
SCHEMBL4088689 0.90 FAAH (0.44) KMT2AFAAHCYP3A4
SCHEMBL3010601 0.90 FAAH (0.47) KMT2AFAAHPPARGMEN1CYP3A4
SCHEMBL2995419 0.88 KMT2A (0.49) KMT2AFAAHKCNMA1NPC1RAB9A
SCHEMBL2168189 0.86 FAAH (0.60) KMT2AFAAHKCNMA1PTGER1MEN1
SCHEMBL3003969 0.85 FAAH (0.46) KMT2AFAAHPPARGMEN1CYP3A4

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 2 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
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 KMT2A 2103/4885FAAH 1/4885KCNMA1 3456/4885

“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.