SCHEMBL304867

SCHEMBL304867

Cc1cc([N+](=O)[O-])c(O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
GPR35 Q9HC97 6/20 0.47
MAPK1 P28482 3/20 0.46
TSHR P16473 2/20 0.46
PPIA P62937 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
VCAM1 P19320 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL31220465 1.00 ALDH1A1 (0.49) ALDH1A1CYP3A4GPR35MAPK1TSHR
SCHEMBL305329 0.92 ALDH1A1 (0.49) ALDH1A1CYP3A4GPR35MAPK1TSHR
SCHEMBL810599 0.85 ALDH1A1 (0.58) ALDH1A1CYP3A4GPR35MAPK1TSHR
SCHEMBL62337 0.84 GPR35 (0.54) ALDH1A1GPR35MAPK1TSHRTP53
SCHEMBL772624 0.84 CYP1A2 (0.48) ALDH1A1CYP3A4GPR35MAPK1TSHR
SCHEMBL305109 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4GPR35MAPK1TSHR
SCHEMBL864500 0.82 TSHR (0.50) ALDH1A1CYP3A4MAPK1TSHRPPIA
SCHEMBL29586844 0.82 PPIA (0.47) ALDH1A1CYP3A4GPR35MAPK1TSHR
SCHEMBL80032 0.82 PPIA (0.47) ALDH1A1CYP3A4GPR35MAPK1TSHR
SCHEMBL29721556 0.82 TSHR (0.50) ALDH1A1CYP3A4MAPK1TSHRPPIA

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022122-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME CHECKMATE THERAPEUTICS INC. (KR) 2026-01-22 US disclosed
WO-2023229346-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME 주식회사 체크메이트테라퓨틱스 2023-11-30 WO disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-25 US disclosed
US-8445522-B2 Substituted 2-(4-pyridyl)benzoxazoles, and compositions thereof, for use in arthropod pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-8324387-B2 Substituted Oxazolo[5,4-b]pyridines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-04 US disclosed
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-18 US disclosed
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
WO-2008039418-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-04-03 WO disclosed
WO-2008039418-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-04-03 WO disclosed
CN-101151259-A Heteroaryl urea derivatives useful for inhibition of CHKI ICOS CORP (US) 2008-03-26 CN disclosed
EP-1869020-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS Corporation (US) 2007-12-26 EP disclosed
WO-2006105262-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS CORPORATION (US) 2006-10-05 WO disclosed
US-4593109-A Miticidal 1-(2-alkyl-2,3-dihydrobenzofuran-7-yl)-4-alkoxy-4-alkylsemicarbazides SHELL OIL COMPANY (US) 1986-06-03 US disclosed
US-4587259-A Miticidal 2-(2-methyl-2,3-dihydro-benzofuran-7-yl)hydrazinecarboxylic acid esters SHELL OIL COMPANY (US) 1986-05-06 US disclosed
US-4577011-A Miticidal 2-(2-alkyl-2,3-dihydrobenzofuran-7-yl)-N-alkoxy-N-alkyl-diazenecarboxamides SHELL OIL COMPANY (US) 1986-03-18 US disclosed
US-4558040-A Miticidal (2-alkyl-3,4-dihydro-2H-1-benzopyran-8-yl)-diazenecarboxylic acid esters SHELL OIL COMPANY (US) 1985-12-10 US disclosed
US-4550121-A AGRICULTURE SHELL OIL COMPANY (US) 1985-10-29 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 (6 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-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC ALDH1A1 2877/4885CYP3A4 2614/4885GPR35 3737/4885
US-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 ALDH1A1 3333/4885CYP3A4 2095/4885GPR35 1158/4885
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF CYC1, C9, C5 ALDH1A1 620/4885CYP3A4 308/4885GPR35 3572/4885
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC ALDH1A1 3770/4885CYP3A4 357/4885GPR35 2440/4885
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, AADAC, CYP4F3 ALDH1A1 1829/4885CYP3A4 256/4885GPR35 2487/4885
US-20260022122-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME NAMPT, NAPRT, NNT ALDH1A1 789/4885CYP3A4 1175/4885GPR35 2281/4885

“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.