SCHEMBL3003194

SCHEMBL3003194

CN(C)C(=O)C=Cc1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.37
TAB1 Q15750 1/20 0.37
NR4A2 P43354 1/20 0.35
IP6K1 Q92551 1/20 0.32
IP6K2 Q9UHH9 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL7322217 1.00 MAP3K7 (0.37) MAP3K7TAB1NR4A2IP6K1IP6K2
SCHEMBL2632247 0.80 MAPT (0.41) MAP3K7TAB1APP
SCHEMBL3011424 0.80 APP (0.43) APP
Cis-Urocanic Acid SCHEMBL19031717 0.78 KDM4E (0.43) MAP3K7TAB1APP
Cis-Urocanic Acid SCHEMBL1755678 0.78 KDM4E (0.43) MAP3K7TAB1APP
Cis-Urocanic Acid SCHEMBL1311341 0.78 KDM4E (0.43) MAP3K7TAB1APP
Cis-Urocanic Acid SCHEMBL15417 0.78 KDM4E (0.43) MAP3K7TAB1APP
Cis-Urocanic Acid SCHEMBL15418 0.78 KDM4E (0.43) MAP3K7TAB1APP
SCHEMBL15474115 0.77
Cis-Urocanic Acid SCHEMBL7715147 0.77 KDM4E (0.42) MAP3K7TAB1APP

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 4 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
EP-0242973-B1 INDOLE DERIVATIVES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1991-07-17 EP disclosed
US-4808581-A ANXIOLYTIC, ANTIEMETIC, TREATMENT OF PSYCHOLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 1989-02-28 US disclosed
EP-0242973-A1 Indole derivatives, method for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1987-10-28 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-20100197752-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES UTS2R, UACA, HCAR1 MAP3K7 3557/4885TAB1 2315/4885NR4A2 1278/4885

“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.