SCHEMBL1767399

SCHEMBL1767399

O=C(Cl)c1ccc(I)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.70
▸ ALDH1A1 P00352 2/20 0.52
▸ TSHR P16473 3/20 0.50
▸ VCAM1 P19320 2/20 0.50
▸ CASP6 P55212 1/20 0.49
▸ LMNA P02545 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.43
▸ PDK1 Q15118 2/20 0.42
▸ HCAR3 P49019 3/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 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
SCHEMBL15610660 0.86 ALDH1A1 (0.52) PARP1ALDH1A1TSHRVCAM1CASP6
SCHEMBL10954211 0.85 PARP1 (0.74) PARP1ALDH1A1TSHRVCAM1CASP6
SCHEMBL8629267 0.84 PARP1 (0.72) PARP1ALDH1A1TSHRVCAM1CASP6
SCHEMBL30995722 0.84 PARP1 (0.72) PARP1TSHRCASP6LMNAHCAR3
SCHEMBL1766442 0.84 PARP1 (0.72) PARP1TSHRCASP6LMNAHCAR3
SCHEMBL1966463 0.83 CASP6 (0.69) PARP1ALDH1A1TSHRVCAM1CASP6
SCHEMBL29492133 0.83 CASP6 (0.69) PARP1ALDH1A1TSHRVCAM1CASP6
Iniparib SCHEMBL29354973 0.82 PARP1 (1.00) PARP1ALDH1A1TSHRCASP6LMNA
SCHEMBL3181806 0.82 PARP1 (0.70) PARP1ALDH1A1TSHRVCAM1CASP6
Iniparib SCHEMBL242006 0.82 PARP1 (1.00) PARP1ALDH1A1TSHRCASP6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3205642-B1 ANILINE INTERMEDIATE FOR THE PREPARATION OF AN AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE. MITSUI CHEMICALS AGRO INC (JP) 2022-03-23 — — EP disclosed
EP-3081552-B1 PEST CONTROL AGENT CONTAINING AN AMIDE DERIVATIVE AND USE OF THE PEST CONTROL AGENT MITSUI CHEMICALS AGRO INC (JP) 2021-03-03 — — EP disclosed
US-10582708-B2 Amide derivative, pest control agent containing the amide derivative, and use of the amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2020-03-10 — — US disclosed
EP-2325165-B1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD MITSUI CHEMICALS AGRO INC (JP) 2020-02-19 — — EP disclosed
US-20190040057-A1 HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2019-02-07 — — US disclosed
US-9926311-B2 Heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-27 — — US disclosed
US-9926311-B2 Heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-27 — — US disclosed
US-20170367329-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2017-12-28 — — US disclosed
US-9756856-B2 Amide derivative, pest control agent containing the amide derivative, and use of the amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2017-09-12 — — US disclosed
EP-3205642-A2 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE AND PEST CONTROLLING METHOD Mitsui Chemicals Agro, Inc. (JP) 2017-08-16 — — EP disclosed
US-20080009624-A1 Heteroaryl carboxamides BAYER HEALTHCARE AG (DE) 2008-01-10 — — US disclosed
US-20080009624-A1 Heteroaryl carboxamides BAYER HEALTHCARE AG (DE) 2008-01-10 — — US disclosed
US-20080009624-A1 Heteroaryl carboxamides BAYER HEALTHCARE AG (DE) 2008-01-10 — — US disclosed
EP-1448530-B1 HETEROARYL CARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-10-03 — — EP disclosed
US-7256288-B2 Heteroaryl carboxylic acid amides BAYER HEALTHCARE AG (DE) 2007-08-14 — — US disclosed
US-7256288-B2 Heteroaryl carboxylic acid amides BAYER HEALTHCARE AG (DE) 2007-08-14 — — US disclosed
US-7256288-B2 Heteroaryl carboxylic acid amides BAYER HEALTHCARE AG (DE) 2007-08-14 — — US disclosed
US-20050209236-A1 Heteroaryl carboxylic acid amides BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 — — US disclosed
EP-1448530-A1 HETEROARYL CARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-08-25 — — EP disclosed
WO-2003043991-A1 HETEROARYL CARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-05-30 — — 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 (5 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-20190040057-A1 HETEROARYL CARBOXAMIDES CNR2, GRIN2A, CNR1 PARP1 812/4885ALDH1A1 3585/4885TSHR 4007/4885
US-20050209236-A1 Heteroaryl carboxylic acid amides HCAR2, HCAR1, HCAR3 PARP1 2324/4885ALDH1A1 1319/4885TSHR 3706/4885
US-10582708-B2 Amide derivative, pest control agent containing the amide derivative, and use of the amide derivative H1-2, H1-4, H1-0 PARP1 4655/4885ALDH1A1 2699/4885TSHR 1245/4885
US-20170367329-A1 AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE, AND USE OF THE AMIDE DERIVATIVE H1-2, H1-4, H1-0 PARP1 4655/4885ALDH1A1 2699/4885TSHR 1245/4885
US-20080009624-A1 Heteroaryl carboxamides GRIN2A, GRIN2C, CNR2 PARP1 614/4885ALDH1A1 3259/4885TSHR 4603/4885

“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.

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