SCHEMBL2972082

SCHEMBL2972082

CC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.60
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GALR2 O43603 1/20 0.48
MITF O75030 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
XBP1 P17861 1/20 0.48
CCR6 P51684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.48
PDE7A Q13946 1/20 0.46
CXCR2 P25025 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL27941949 0.94 SLC9A1 (0.60) SLC9A1NPSR1LMNAPOLBALDH1A1
SCHEMBL8611539 0.89 SLC9A1 (0.64) SLC9A1NPSR1LMNAPOLBALDH1A1
SCHEMBL863876 0.88 SLC9A1 (0.53) SLC9A1NPSR1LMNAPOLBALDH1A1
SCHEMBL6354726 0.87 SLC9A1 (0.59) SLC9A1NPSR1LMNAPOLBALDH1A1
SCHEMBL11237157 0.87 POLB (0.60) SLC9A1NPSR1LMNAPOLBALDH1A1
SCHEMBL10936842 0.85 MAPT (0.55) SLC9A1NPSR1LMNAPOLBALDH1A1
SCHEMBL2929136 0.85 NPSR1 (0.51) SLC9A1NPSR1LMNAPOLBALDH1A1
SCHEMBL6816581 0.84 CXCR2 (0.63) SLC9A1NPSR1LMNAPOLBALDH1A1
SCHEMBL29386167 0.84 SLC9A1 (0.63) SLC9A1NPSR1LMNAPOLBALDH1A1
SCHEMBL10759973 0.84 SLC9A1 (0.63) SLC9A1NPSR1LMNAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020035825-A1 N'-(4-(BENZYLAMINO)-PHENYL)-N-ETHYL-N-METHYLFORMIMIDAMIDE DERIVATIVES AND RELATED COMPOUNDS FOR PROTECTING AGRICULTURAL CROPS AGAINST PHYTOPATHOGENIC MICROORGANISMS PI INDUSTRIES LTD (IN) 2020-02-20 WO disclosed
WO-2016020111-A1 NOVEL OXIDATION DYE INTERMEDIATES OF THE TYPE OF OXY-, THIO-, AND AZA-BIS-BENZENES HENKEL AG & CO. KGAA (DE) 2016-02-11 WO disclosed
WO-2016020111-A1 NOVEL OXIDATION DYE INTERMEDIATES OF THE TYPE OF OXY-, THIO-, AND AZA-BIS-BENZENES HENKEL AG & CO. KGAA (DE) 2016-02-11 WO disclosed
EP-2029543-B1 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH LLC (US) 2015-11-18 EP disclosed
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
EP-2029543-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-03-04 EP disclosed
WO-2007146376-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 US disclosed
CN-1349974-A 2-methyl-5-chloro-1,4-diaminobenzene and its prepn and application UNIV WUHAN (CN) 2002-05-22 CN disclosed
US-4151203-A Process for the preparation of p-nitroaniline compounds by the alkaline hydrolysis of mixed anilides EASTMAN KODAK COMPANY (US) 1979-04-24 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 SLC9A1 1426/4885NPSR1 2421/4885LMNA 1997/4885

“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.