SCHEMBL2213670

SCHEMBL2213670

Oc1ccc2nc(-c3ccsc3)n(-c3ccccc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.52
ESR1 P03372 5/20 0.52
GRIA1 P42261 1/20 0.45
CACNG8 Q8WXS5 1/20 0.45
CACNG2 Q9Y698 1/20 0.45
DHFR P00374 1/20 0.43
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
PELI1 Q96FA3 1/20 0.38
RECQL P46063 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPY5R Q15761 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
SCHEMBL2215631 0.88 GRIA1 (0.55) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL2328330 0.85 ESR2 (0.70) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL6443523 0.84 ESR2 (0.70) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL5580001 0.84 ESR2 (0.68) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL2328740 0.83 ESR1 (0.59) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL2213243 0.81 PDGFRB (0.48) DHFRMEN1KMT2AALDH1A1HDAC1
SCHEMBL2330800 0.80 ESR1 (0.59) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL4589408 0.80 ESR1 (0.71) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL2324624 0.79 ESR1 (0.58) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL2323575 0.79 ESR1 (0.58) ESR2ESR1GRIA1CACNG8CACNG2

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 7 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

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 ESR2 2161/4885ESR1 4073/4885GRIA1 746/4885
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 ESR2 2922/4885ESR1 4427/4885GRIA1 642/4885

“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.