SCHEMBL429810

SCHEMBL429810

Nc1cc(Br)c(F)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
CYP3A4 P08684 3/20 0.47
TDP1 Q9NUW8 5/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSB P07858 1/20 0.42
MAPT P10636 6/20 0.38
PKM P14618 1/20 0.38
GAA P10253 1/20 0.38
PDE7A Q13946 1/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 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
SCHEMBL19071954 0.86 ALDH1A1 (0.54) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL7030676 0.80 TDP1 (0.48) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL26598264 0.80 ERN1 (0.44) ALDH1A1CYP3A4TDP1MAPK1CTSB
SCHEMBL29617721 0.80 TDP1 (0.44) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL2132590 0.80 TDP1 (0.44) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL3306079 0.78 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL432390 0.78 ALDH1A1 (0.63) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL25424202 0.78 ALDH1A1 (0.42) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL429241 0.77 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1ALOX15TSHR
SCHEMBL8745991 0.77 TSHR (0.56) ALDH1A1CYP3A4TDP1ALOX15TSHR

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
EP-2595982-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2018-06-13 EP disclosed
US-9181222-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-20140329842-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8710223-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-04-29 US disclosed
EP-2595982-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF Rigel Pharmaceuticals, Inc. (US) 2013-05-29 EP disclosed
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2012-01-26 US disclosed
WO-2012012619-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2012-01-26 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-20140329842-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885CYP3A4 4316/4885TDP1 754/4885
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885CYP3A4 4316/4885TDP1 754/4885

“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.