SCHEMBL2192999

SCHEMBL2192999

O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.60
KDM4E B2RXH2 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
KMT2A Q03164 10/20 0.54
MEN1 O00255 9/20 0.54
MAPT P10636 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
TP53 P04637 1/20 0.54
CASP3 P42574 1/20 0.54
HTT P42858 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
MAPK1 P28482 1/20 0.53
MYOC Q99972 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HSPB1 P04792 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL5169625 0.84 FFAR1 (0.69) FFAR1KDM4ECRHBPCRHR2KMT2A
SCHEMBL5169615 0.84 FFAR1 (0.69) FFAR1KDM4ECRHBPCRHR2KMT2A
SCHEMBL22225457 0.83 TRPV1 (0.63) FFAR1KMT2AMEN1MAPTNPSR1
SCHEMBL3737969 0.83 MEN1 (0.73) FFAR1KDM4ECRHBPCRHR2KMT2A
SCHEMBL22225262 0.82 FFAR1 (0.73) FFAR1KDM4ECRHBPCRHR2KMT2A
SCHEMBL2191327 0.82 L3MBTL1 (0.52) KMT2AMEN1MAPTHTTNPC1
SCHEMBL826543 0.81 MEN1 (0.53) FFAR1KDM4EKMT2AMEN1MAPT
SCHEMBL14267699 0.81 KMT2A (0.69) KMT2AMEN1MAPTNPSR1TP53
SCHEMBL22206733 0.81 FFAR1 (0.71) FFAR1KDM4ECRHBPCRHR2KMT2A
SCHEMBL10912746 0.80 FFAR1 (0.62) FFAR1KDM4ECRHBPCRHR2KMT2A

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
EP-2181987-B9 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2181987-B1 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-8324395-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
US-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
EP-2181987-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-05 EP 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-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 FFAR1 3939/4885KDM4E 1488/4885CRHBP 3332/4885

“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.