SCHEMBL3383379

SCHEMBL3383379

COc1ccc(-c2ccc(-c3cc(C(=O)O)ccn3)cc2C#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.55
KDM4C Q9H3R0 4/20 0.53
KDM5A P29375 1/20 0.53
KDM2B Q8NHM5 1/20 0.53
KDM5B Q9UGL1 1/20 0.53
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
KMO O15229 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
KDM6B O15054 1/20 0.46
KDM5C P41229 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46
CYP2C8 P10632 1/20 0.45

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
SCHEMBL1331700 0.88 KDM4C (0.52) XDHKDM4CKMOKDM4EKDM6B
SCHEMBL1329694 0.87 XDH (0.54) XDHKDM4CKMOKDM4EKDM6B
SCHEMBL4446735 0.86 XDH (0.53) XDHKDM4CKMOKDM4EKDM6B
SCHEMBL1329554 0.86 XDH (0.53) XDHKDM4CKMOKDM4EKDM6B
SCHEMBL3387162 0.85 KMO (0.56) XDHKDM4CKDM5AKDM5BKMO
SCHEMBL28441960 0.83 KDM4C (0.67) KDM4CKDM5AKDM2BKDM5BKMO
SCHEMBL29723246 0.83 KDM4C (0.67) KDM4CKDM5AKDM2BKDM5BKMO
SCHEMBL1330582 0.82 KDM4E (0.52) XDHKDM4CKDM5BSMN1; SMN2KDM4E
SCHEMBL1331331 0.81 XDH (0.55) XDHKDM4CKMO
SCHEMBL1330401 0.80 XDH (0.50) XDHKDM4CKDM5AKDM2BKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932832-B1 TRIARYLCARBOXYLIC ACID DERIVATIVE ASTELLAS PHARMA INC (JP) 2010-12-01 EP claimed
US-7816558-B2 Triarylcarboxylic acid derivative ASTELLAS PHARMA INC. (JP) 2010-10-19 US claimed
US-20090018104-A1 Triarylcarboxylic Acid Derivative ASTELLAS PHARMA INC. (JP) 2009-01-15 US claimed
EP-1932832-A1 TRIARYLCARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2008-06-18 EP claimed
EP-1932832-B1 TRIARYLCARBOXYLIC ACID DERIVATIVE ASTELLAS PHARMA INC (JP) 2010-12-01 EP disclosed
US-7816558-B2 Triarylcarboxylic acid derivative ASTELLAS PHARMA INC. (JP) 2010-10-19 US disclosed
US-20090018104-A1 Triarylcarboxylic Acid Derivative ASTELLAS PHARMA INC. (JP) 2009-01-15 US disclosed
EP-1932832-A1 TRIARYLCARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2008-06-18 EP 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-20090018104-A1 Triarylcarboxylic Acid Derivative XDH, NLRP3, UACA XDH 1/4885KDM4C 3563/4885KDM5A 2450/4885

“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.