SCHEMBL3014472

SCHEMBL3014472

CCC(C)n1cnc(CC(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 2/20 0.36
▸ ACHE P22303 3/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ TGFBR2 P37173 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.32
▸ ADA P00813 2/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL27803093 0.86 ACHE (0.37) KDM5AACHEKDM4CKDM5BCPB2
SCHEMBL3009277 0.85 CPB2 (0.40) KDM5ACPB2ADA
SCHEMBL27781545 0.85 KDM5A (0.35) KDM5AACHETGFBR1TGFBR2KDM4C
SCHEMBL27781574 0.78 ADA (0.51) KDM5AADA
SCHEMBL2999032 0.75 CPB2 (0.41) CPB2
SCHEMBL2176873 0.73 CYP2C9 (0.53) CPB2
SCHEMBL29215894 0.72 KDM5A (0.46) KDM5AKDM4CKDM5BADA
SCHEMBL27781647 0.72 KDM5A (0.46) KDM5AKDM4CKDM5BADA
SCHEMBL29215817 0.72 KDM5A (0.46) KDM5AKDM4CKDM5BADA
SCHEMBL3012492 0.71 CPB2 (0.52) KDM5AKDM5BCPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197752-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES VALLETTA HEALTH IP EE B.V. (NL) 2010-08-05 — — US disclosed
CN-101679293-A Urocanic acid derivatives useful for the treatment of immune-related and inflammatory diseases VALETTA HEALTH B V 2010-03-24 — — CN 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-20100197752-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES UTS2R, UACA, HCAR1 KDM5A 3919/4885ACHE 4605/4885TGFBR1 452/4885

“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.

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