SCHEMBL2212705

SCHEMBL2212705

COc1ccc([N+](=O)[O-])c(Nc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.68
AKR1C2 P52895 7/20 0.68
AKR1B10 O60218 2/20 0.68
AKR1B1 P15121 2/20 0.68
AKR1C4 P17516 2/20 0.68
AKR1C1 Q04828 2/20 0.68
MAPK1 P28482 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
CASP7 P55210 1/20 0.59
MAPT P10636 4/20 0.57
HPGD P15428 1/20 0.55
GAA P10253 2/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
FBP1 P09467 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL2327170 0.92 AKR1C3 (0.62) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL4930929 0.91 MAPT (0.68) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL6179431 0.88 AKR1C3 (0.74) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL29623803 0.87 MAPT (0.71) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL20603932 0.87 MAPT (0.71) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL2327024 0.87 MAPT (0.59) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL2331032 0.86 AKR1C3 (0.60) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL9995200 0.86 AKR1C3 (0.58) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL2214114 0.86 MAPT (0.58) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL2328384 0.86 MAPT (0.58) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474415-B1 1-PHENYL-2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, THE USE THEREOF FOR PRODUCING DRUGS USED IN THE TREATMENT OF IMMUNOLOGICAL DISEASES BAYER SCHERING PHARMA AG (DE) 2011-07-27 EP disclosed
US-7683081-B2 1-phenyl-2-heteroaryl-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-23 US disclosed
US-20050267160-A1 1-Phenyl-2-heteroaryl-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-01 US disclosed
US-6962932-B2 1-phenyl-2-heteroaryl-substituted benzimdazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2005-11-08 US disclosed
EP-1474415-A1 1-PHENYL-2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, THE USE THEREOF FOR PRODUCING DRUGS USED IN THE TREATMENT OF IMMUNOLOGICAL DISEASES Schering Aktiengesellschaft (DE) 2004-11-10 EP disclosed
US-20030229085-A1 1-Phenyl-2-heteroaryl-substituted benzimdazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2003-12-11 US disclosed
WO-2003068766-A1 1-PHENYL-2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, THE USE THEREOF FOR PRODUCING DRUGS USED IN THE TREATMENT OF IMMUNOLOGICAL DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 WO disclosed
US-6030992-A ANTAGONISTS FOR THE BINDING OF NEUROKININ-2 RECEPTOR; SLEEP DISORDERS; BENZIMIDES, 2- OR 3-ALKOXYBENZIMIDES AND 2,3-DIALKOXYBENZIMIDES ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-6025379-A A SUBSTITUTED BENZIMIDAZOLE, TACHYKININ RECEPTOR ANTAGONISTS, ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
WO-1997033873-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1997-09-18 WO disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 WO disclosed
US-5552426-A NERVOUS SYSTEM DISORDERS USING IMIDAZOLE DERIVITIVES ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
EP-0694535-A1 Non-peptidyl tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-01-31 EP disclosed
US-4138572-A Malonanilic derivatives ROUSSEL UCLAF (FR) 1979-02-06 US disclosed
US-4001408-A SUBSTITUTED HETEROCYCLIC COMPOUNDS, PROCESSES AND COMPOSITION INCLUDING THOSE ROUSSEL-UCLAF (FR) 1977-01-04 US disclosed
US-3984398-A 1,5-Benzodiazepine-2,4-diones ROUSSEL-UCLAF (FR) 1976-10-05 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 (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-20050267160-A1 1-Phenyl-2-heteroaryl-substituted benzimidazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives CD4, NFATC1, ICOS AKR1C3 4337/4885AKR1C2 4469/4885AKR1B10 3922/4885
US-20030229085-A1 1-Phenyl-2-heteroaryl-substituted benzimdazole derivatives, their use for the production of pharmaceutical agents as well as pharmaceutical preparations that contain these derivatives CD4, ICOS, NFATC1 AKR1C3 4031/4885AKR1C2 4358/4885AKR1B10 3972/4885

“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.