SCHEMBL23830274

SCHEMBL23830274

Cc1ccc(Cn2nc(C(=O)NCC3(O)CC3)c3ncc(C)cc32)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.38
SLC22A12 Q96S37 1/20 0.37
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
PDE4B Q07343 1/20 0.35
KLKB1 P03952 1/20 0.35
TP53 P04637 1/20 0.35
ACSS2 Q9NR19 1/20 0.34
RORC P51449 8/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL23830378 0.84 CSF1R (0.41) P2RX7KLKB1ACSS2RORCPDCD1
SCHEMBL23830390 0.83 P2RX7 (0.34) P2RX7ACSS2RORC
SCHEMBL23830351 0.81 P2RX7 (0.35) P2RX7SLC22A12ACSS2RORC
SCHEMBL23830307 0.81 PDE6D (0.36) P2RX7RORC
SCHEMBL23830367 0.79 PDE6D (0.35) P2RX7RORC
SCHEMBL23830354 0.79 SCN9A (0.36) RORC
SCHEMBL23830312 0.78 PDE6D (0.38) P2RX7ACSS2RORC
SCHEMBL23830315 0.78 PDE6D (0.37) P2RX7ACSS2RORC
SCHEMBL23830327 0.78 PDE6D (0.52) P2RX7RORC
SCHEMBL23830280 0.77 PDE6D (0.44) P2RX7ACSS2RORC

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 P2RX7 3325/4885SLC22A12 3581/4885NR3C1 300/4885

“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.