SCHEMBL23830360

SCHEMBL23830360

COc1ncnc(CO)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
PDE6D O43924 5/20 0.40
PDE6A P16499 5/20 0.40
PDE6G P18545 5/20 0.40
PDE6B P35913 5/20 0.40
PDE6C P51160 5/20 0.40
PDE6H Q13956 5/20 0.40
PDPK1 O15530 1/20 0.36
ALDH1A1 P00352 4/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.31
PNP P00491 1/20 0.31
MAPT P10636 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
CYP1A2 P05177 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
SCHEMBL23830411 0.84 HSD17B10 (0.43) HSD17B10PDE6DPDE6APDE6GPDE6B
SCHEMBL12819873 0.83 HSD17B10 (0.42) HSD17B10PDE6DPDE6APDE6GPDE6B
SCHEMBL16395233 0.82 HSD17B10 (0.38) HSD17B10PDE6DPDE6APDE6GPDE6B
SCHEMBL23830406 0.81 TSHR (0.40) HSD17B10PDE6DPDE6APDE6GPDE6B
SCHEMBL16395481 0.80 HSD17B10 (0.35) HSD17B10PDE6DPDE6APDE6GPDE6B
SCHEMBL6796490 0.79 PDPK1 (0.45) HSD17B10PDPK1ALDH1A1RAB9ANPC1
SCHEMBL26043745 0.79 PDPK1 (0.36) HSD17B10PDE6DPDE6APDE6GPDE6B
SCHEMBL23717803 0.78 PDPK1 (0.38) HSD17B10PDE6DPDE6APDE6GPDE6B
SCHEMBL23830402 0.77 ACACB (0.45) HSD17B10PDE6DPDE6APDE6GPDE6B
SCHEMBL18254207 0.75 HSD17B10 (0.33) HSD17B10PDPK1

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 HSD17B10 1210/4885PDE6D 3804/4885PDE6A 1704/4885

“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.