SCHEMBL3472266

SCHEMBL3472266

Cc1c2ccc(C(=O)O)cc2nn1CCn1cccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
HTT P42858 2/20 0.46
SLC22A12 Q96S37 4/20 0.42
THRB P10828 3/20 0.41
HCAR3 P49019 5/20 0.40
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL27775561 0.79 SLC22A12 (0.43) HTTSLC22A12HCAR3ALDH1A1HPGD
SCHEMBL3471092 0.76 THRB (0.61) KDM5AKDM2BKDM4CKDM5BHTT
SCHEMBL3472679 0.74 HCAR3 (0.44) SLC22A12THRBHCAR3HPGDMEN1
SCHEMBL23535818 0.72 HCAR3 (0.51) HTTSLC22A12HCAR3ALDH1A1HPGD
SCHEMBL27566384 0.70 SLC22A12 (0.41) KDM5AKDM4CKDM5BSLC22A12
SCHEMBL28841023 0.67 HTT (0.55) KDM5AKDM2BKDM4CKDM5BHTT
SCHEMBL6301461 0.67 SLC22A12 (0.47) HTTSLC22A12HCAR3ALDH1A1CYP2C9
SCHEMBL1072220 0.66 HTT (0.47) KDM5AKDM2BKDM4CKDM5BHTT
SCHEMBL31691461 0.66 HTT (0.56) KDM5AKDM2BKDM4CKDM5BHTT
SCHEMBL29301478 0.65 TDP1 (0.44) HTTSLC22A12HCAR3ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
EP-2044031-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS Bayer HealthCare AG (DE) 2009-04-08 EP disclosed
WO-2008006479-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2008-01-17 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 (1 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-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS F2, TFPI, PLAT KDM5A 774/4885KDM2B 1789/4885KDM4C 2216/4885

“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.