SCHEMBL23830402

SCHEMBL23830402

Cc1c(CO)ncnc1OCC1CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.45
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
PDE6D O43924 1/20 0.35
PDE6A P16499 1/20 0.35
PDE6G P18545 1/20 0.35
PDE6B P35913 1/20 0.35
PDE6C P51160 1/20 0.35
PDE6H Q13956 1/20 0.35
CNR2 P34972 6/20 0.34
HRH3 Q9Y5N1 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
CNR1 P21554 1/20 0.33
FFAR2 O15552 1/20 0.33

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
SCHEMBL23830342 0.84 ACACB (0.43) ACACBCDK1CDK2PDE6DPDE6A
SCHEMBL22131921 0.80 ACACB (0.49) ACACBCDK1CDK2CNR2GPR119
SCHEMBL23830411 0.78 HSD17B10 (0.43) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL23830360 0.77 HSD17B10 (0.45) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL20775322 0.77 ACACB (0.44) ACACBCDK1CDK2CNR2HRH3
SCHEMBL23830406 0.75 TSHR (0.40) PDE6DPDE6APDE6GPDE6BPDE6C
SCHEMBL12236490 0.73 CHRM1 (0.39) GPR119
SCHEMBL23830298 0.73 ACACB (0.47) ACACBCNR2HSD17B10GPR119CNR1
SCHEMBL19004847 0.72 CDK1 (0.39) ACACBCDK1CDK2FFAR2
SCHEMBL16395481 0.70 HSD17B10 (0.35) PDE6DPDE6APDE6GPDE6BPDE6C

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-20210292333-A1 CONDENSED AZAHETEROARYL COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY AGAINST TUBERCULOSIS BACTERIA CADILA HEALTHCARE LIMITED (IN) 2021-09-23 US disclosed
CN-112543757-A Condensed azaheteroaryl compounds having antibacterial activity against tubercle bacillus 卡迪拉保健有限公司 2021-03-23 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-20210292333-A1 CONDENSED AZAHETEROARYL COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY AGAINST TUBERCULOSIS BACTERIA DPEP1, SAT1, PEPD ACACB 1645/4885CDK1 563/4885CDK2 850/4885

“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.