SCHEMBL113455

SCHEMBL113455

O=[N+]([O-])c1cc(Cl)cnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
TSHR P16473 2/20 0.44
AHR P35869 1/20 0.42
CHUK O15111 1/20 0.42
VCAM1 P19320 1/20 0.42
PDE7A Q13946 3/20 0.40
POLB P06746 2/20 0.40
PDE7B Q9NP56 2/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GPR35 Q9HC97 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIN1 Q13526 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
SCHEMBL29445407 1.00 MAPK1 (0.44) MAPK1TSHRAHRCHUKVCAM1
SCHEMBL12161659 0.82 MAPK1 (0.42) MAPK1TSHRAHRCHUKVCAM1
SCHEMBL985995 0.82 AHR (0.51) MAPK1TSHRAHRALDH1A1GPR35
SCHEMBL203312 0.82 INPPL1 (0.46) MAPK1TSHRAHRCHUKVCAM1
SCHEMBL29780392 0.82 AHR (0.51) MAPK1TSHRAHRALDH1A1GPR35
SCHEMBL30408800 0.80 TDP1 (0.41) MAPK1TSHRAHRVCAM1PDE7A
SCHEMBL422756 0.80 ERN1 (0.39) MAPK1TSHRVCAM1POLBALDH1A1
SCHEMBL30230909 0.80 SMN1; SMN2 (0.54) MAPK1TSHRPOLBALDH1A1L3MBTL1
SCHEMBL541340 0.80 SMN1; SMN2 (0.54) MAPK1TSHRPOLBALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL14989233 0.80 AHR (0.50) MAPK1TSHRAHRALDH1A1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107176952-A A kind of synthetic method of imidazole derivative 湖南华腾制药有限公司 2017-09-19 CN claimed
JP-63225631-A None JP disclosed
US-20260097034-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LTD (HK) 2026-04-09 US disclosed
US-12522697-B2 Polyarylene sulfide, and purification method and production method therefor DIC CORPORATION (JP) 2026-01-13 US disclosed
EP-4646263-A1 SPRK1 INHIBITORS AND METHODS OF USE Allianthera (Suzhou) Biopharmaceutical Co., Ltd. (CN) 2025-11-12 EP disclosed
US-12458642-B2 Metalloenzyme inhibitor compounds CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2025-11-04 US disclosed
US-12441755-B2 Galactoside inhibitor of galectins GALECTO BIOTECH AB (DK) 2025-10-14 US disclosed
EP-4561561-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR Septerna, Inc. (US) 2025-06-04 EP disclosed
US-12297208-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2025-05-13 US disclosed
US-20250145825-A1 POLYARYLENE SULFIDE RESIN COMPOSITION, MOLDED ARTICLE, AND METHODS FOR PRODUCING THESE DIC CORPORATION (JP) 2025-05-08 US disclosed
EP-0302218-A1 Process for producing polyarylene sulfide IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1989-02-08 EP disclosed
EP-0296250-A1 POLYARYLENE SULFIDE AND PROCESS FOR ITS PRODUCTION IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1988-12-28 EP disclosed
JP-S63225631-A PRODUCTION OF POLYARYLENE SULFIDE IDEMITSU PETROCHEM CO LTD 1988-09-20 JP disclosed
US-4759796-A Used together with a carrier and other adjuvant CIBA-GEIGY CORPORATION (US) 1988-07-26 US disclosed
EP-0248968-A1 (R)-2-[4-(5-chloro-3-fluoropyridin-2-yloxy)-phenoxy]-propionic acid propynyl ester endowed with a herbicidal activity CIBA-GEIGY AG (CH) 1987-12-16 EP disclosed
US-4713109-A 2-(4-(5-chloro-3-fluoropyridin-2-yloxy)phenoxy)-propionic acid-propynyl ester with herbicidal activity CIBA GEIGY CORPORATION (US) 1987-12-15 US disclosed
US-4640703-A CONTROLLING GRASSES IN CROPS CIBA-GEIGY CORPORATION (US) 1987-02-03 US disclosed
EP-0178260-A2 Process for the preparation of fluorinated pyridine derivatives CIBA-GEIGY AG (CH) 1986-04-16 EP disclosed
EP-0148119-A2 Amides of 2-phenoxypropionic acid CIBA-GEIGY AG (CH) 1985-07-10 EP disclosed
US-4247556-A 7-Azabenzimidazoles with basic side chains and use thereof DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-01-27 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 (4 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-12297208-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS MAPK1 301/4885TSHR 2869/4885AHR 2838/4885
US-12458642-B2 Metalloenzyme inhibitor compounds CYP11B2, CYP11B1, HSD11B2 MAPK1 1060/4885TSHR 2512/4885AHR 2026/4885
US-12441755-B2 Galactoside inhibitor of galectins LGALS1, LGALS3, LGALS2 MAPK1 201/4885TSHR 1602/4885AHR 3318/4885
US-20260097034-A1 METALLOENZYME INHIBITOR COMPOUNDS CPN1, TPP1, DPP4 MAPK1 2739/4885TSHR 1191/4885AHR 2899/4885

“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.