SCHEMBL23830404

SCHEMBL23830404

COc1cnc2c(C(=O)NCC3(O)CC3)nn(Cc3cc(C(F)(F)F)cnc3OC)c2n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.39
RORC P51449 14/20 0.37
SCN10A Q9Y5Y9 2/20 0.34
CFTR P13569 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
SCHEMBL23830394 0.93 SCN9A (0.38) SCN9ARORCCFTR
SCHEMBL23830374 0.90 RORC (0.36) RORC
SCHEMBL23830354 0.85 SCN9A (0.36) SCN9ARORCSCN10ACFTR
SCHEMBL23830407 0.85 RORC (0.34) RORC
SCHEMBL23830311 0.84 SCN9A (0.39) SCN9ASCN10A
SCHEMBL23830336 0.82 RORC (0.35) RORC
SCHEMBL23830328 0.82 CSF1R (0.38) RORC
SCHEMBL23830400 0.81 RORC (0.35) RORC
SCHEMBL23830286 0.79 PDE6D (0.40) RORC
SCHEMBL23830277 0.78 RORC (0.34) RORC

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-20210292333-A1 CONDENSED AZAHETEROARYL COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY AGAINST TUBERCULOSIS BACTERIA CADILA HEALTHCARE LIMITED (IN) 2021-09-23 US claimed
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 claimed
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 SCN9A 3947/4885RORC 923/4885SCN10A 4364/4885

“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.