SCHEMBL17376374

SCHEMBL17376374

Cc1nc(Cl)c([N+](=O)[O-])c(N2CCOC(C)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 12/20 0.43
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL17376514 1.00 FFAR2 (0.43) FFAR2MAPTNPSR1MAPK1ALDH1A1
SCHEMBL17376487 0.84 FFAR2 (0.45) FFAR2MAPTNPSR1MAPK1ALDH1A1
SCHEMBL17376400 0.84 FFAR2 (0.45) FFAR2MAPTNPSR1MAPK1ALDH1A1
SCHEMBL17376582 0.84 NPSR1 (0.36) FFAR2MAPTNPSR1MAPK1ALDH1A1
SCHEMBL9126475 0.82 ALDH1A1 (0.56) MAPTNPSR1MAPK1ALDH1A1CYP1A2
SCHEMBL18946979 0.78 FFAR2 (0.45) FFAR2
SCHEMBL5773495 0.76 HTT (0.52) MAPTMAPK1ALDH1A1CYP1A2CYP2C9
SCHEMBL17376417 0.76 FFAR2 (0.42) FFAR2MAPTNPSR1MAPK1ALDH1A1
SCHEMBL17376527 0.75 FFAR2 (0.50) FFAR2MAPTMAPK1ALDH1A1MEN1
SCHEMBL18919287 0.75 FFAR2 (0.50) FFAR2MAPTMAPK1ALDH1A1MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059713-B2 3-substituted 2-amino-indole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-28 US disclosed
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA CAMBRIDGE LIMITED (GB) 2017-06-08 US disclosed
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA CAMBRIDGE LIMITED (GB) 2017-06-08 US disclosed
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA CAMBRIDGE LIMITED (GB) 2017-06-08 US disclosed
EP-3160965-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
WO-2015198045-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-30 WO disclosed
WO-2015198045-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-30 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 (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-10059713-B2 3-substituted 2-amino-indole derivatives NPY5R, XDH, NPY4R FFAR2 2278/4885MAPT 3061/4885NPSR1 159/4885
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES NPY5R, XDH, NPY4R FFAR2 2278/4885MAPT 3061/4885NPSR1 159/4885

“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.