SCHEMBL31301231

SCHEMBL31301231

NC(=O)c1nnn(-c2cccnc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.54
CHRNA5 P30532 3/20 0.54
CHRNA4 P43681 3/20 0.54
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SARM1 Q6SZW1 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
SIRT4 Q9Y6E7 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.43
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL24712427 0.82 HPGD (0.51) NPC1RAB9AABCG2MAPT
SCHEMBL25170232 0.78 NPC1 (0.48) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL15597193 0.72 CHRNB2 (0.61) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL31301189 0.71 FAAH (0.56) RAB9ACCNA2CDK2CCNA1MKNK2
SCHEMBL30398916 0.70 ESRRA (0.46) F7F3SARM1SIRT2SIRT6
Fumaric Acid SCHEMBL2038382 0.70 CHRNB2 (0.77) CHRNB2CHRNA5CHRNA4NPC1RAB9A
Fumaric Acid SCHEMBL2038380 0.70 CHRNB2 (0.77) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL28428606 0.69 CHRNB2 (0.56) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL3752704 0.69 CHRNB2 (0.73) CHRNB2CHRNA5CHRNA4NPC1RAB9A
SCHEMBL2211336 0.68 HPGD (0.53) NPC1RAB9AABCG2MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250002487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2025-01-02 US 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-20250002487-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CGAS, TDP1, CYP11B2 CHRNB2 2274/4885CHRNA5 2983/4885CHRNA4 3362/4885

“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.