SCHEMBL29276201

SCHEMBL29276201

O=c1[nH]nc(Cl)c2cnccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.42
KDM4C Q9H3R0 3/20 0.40
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
KDM5C P41229 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
PRMT5 O14744 4/20 0.38
WDR77 Q9BQA1 3/20 0.38
CSNK2A1 P68400 2/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AR P10275 3/20 0.37
LMNA P02545 1/20 0.37
CDC25B P30305 1/20 0.36
ROCK1 Q13464 1/20 0.36
KDM5A P29375 1/20 0.35

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
SCHEMBL30995048 1.00 PARP1 (0.42) PARP1KDM4CKDM4AKDM4BKDM5C
SCHEMBL30214806 0.93 PARP1 (0.45) PARP1KDM4CKDM4AKDM4BKDM5C
SCHEMBL19153584 0.78 PRMT5 (0.44) PARP1KDM4CKDM4AKDM4BKDM5C
SCHEMBL28694341 0.78 PARP1 (0.42) PARP1KDM4CKDM4AKDM4BKDM5C
SCHEMBL599352 0.76 NPSR1 (0.57) PARP1PRMT5ATMNPSR1AR
SCHEMBL29276157 0.76 PARP1 (0.46) PARP1KDM4CKDM4AKDM4BKDM5C
SCHEMBL19902659 0.75 PRMT5 (0.42) PARP1KDM4CKDM4AKDM4BKDM5C
SCHEMBL6886163 0.75 ACHE (0.42) PARP1
SCHEMBL31346280 0.75 CHUK (0.44) PARP1KDM5A
SCHEMBL19153845 0.74 PARP1 (0.45) PARP1KDM4CKDM4AKDM4BKDM5C

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-20240262806-A1 INHIBITORS OF NLRP3 PCT THERAPEUTICS, INC. (US) 2024-08-08 US disclosed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 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-20240262806-A1 INHIBITORS OF NLRP3 NLRP3, NOD1, NLRP1 PARP1 451/4885KDM4C 3948/4885KDM4A 2903/4885

“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.