SCHEMBL25199199

SCHEMBL25199199

CCCCSc1nc(N)cc(=O)[nH]1

nearest known ligand 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.89
SCN5A Q14524 1/20 0.89
GPR84 Q9NQS5 9/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KDM4E B2RXH2 1/20 0.60
ABL1 P00519 1/20 0.60
RIN1 Q13671 1/20 0.60

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
SCHEMBL24191085 0.90 SCN9A (0.78) SCN9ASCN5AGPR84SMN1; SMN2KDM4E
SCHEMBL26039927 0.80 CYP1A2 (0.75) GPR84SMN1; SMN2
SCHEMBL15575015 0.77 SCN9A (0.59) SCN9ASCN5AKDM4E
SCHEMBL27138808 0.76 GPR84 (1.00) SCN9ASCN5AGPR84SMN1; SMN2
SCHEMBL5552693 0.74 SCN9A (0.55) SCN9ASCN5A
SCHEMBL24191327 0.73 SCN9A (0.56) SCN9ASCN5AKDM4E
SCHEMBL17130742 0.71 SMN1; SMN2 (0.70) SMN1; SMN2KDM4E
SCHEMBL28318739 0.71 GPR84 (0.80) GPR84SMN1; SMN2
SCHEMBL5094216 0.71 GPR84 (0.88) SCN9ASCN5AGPR84SMN1; SMN2
SCHEMBL3945346 0.71 RAB9A (0.49) SCN9ASCN5ASMN1; SMN2KDM4EABL1

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-20230303561-A1 PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREOF AND USE THEREOF IN RESISTING MYCOBACTERIUM TUBERCULOSIS INFECTION INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2023-09-28 US disclosed
EP-4180429-A1 PYRIMIDINONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF AGAINST MYCOBACTERIUM TUBERCULOSIS INFECTION Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2023-05-17 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-20230303561-A1 PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREOF AND USE THEREOF IN RESISTING MYCOBACTERIUM TUBERCULOSIS INFECTION DHPS, DHFR, QDPR SCN9A 4613/4885SCN5A 4507/4885GPR84 3661/4885

“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.