SCHEMBL29131967

SCHEMBL29131967

Oc1cc(C(F)(F)F)ccc1-c1nnc(NC[C@@H]2CCCN2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IL1B P01584 8/20 0.49
NLRP3 Q96P20 6/20 0.44
KCNH2 Q12809 1/20 0.44
IDO1 P14902 3/20 0.43
TDO2 P48775 3/20 0.43
CHEK1 O14757 1/20 0.41
CHEK2 O96017 1/20 0.41
TNF P01375 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL29131969 1.00 IL1B (0.49) IL1BNLRP3KCNH2IDO1TDO2
SCHEMBL29275687 0.93 NLRP3 (0.44) IL1BNLRP3KCNH2IDO1TDO2
SCHEMBL30213908 0.89 IL1B (0.47) IL1BNLRP3KCNH2IDO1TDO2
SCHEMBL30214191 0.89 IL1B (0.47) IL1BNLRP3KCNH2IDO1TDO2
SCHEMBL31043367 0.85 NLRP3 (0.42) IL1BNLRP3KCNH2CHEK1CHEK2
SCHEMBL31043319 0.85 NLRP3 (0.42) IL1BNLRP3KCNH2CHEK1CHEK2
SCHEMBL27354972 0.85 NLRP3 (0.42) IL1BNLRP3KCNH2CHEK1CHEK2
Formic Acid SCHEMBL30994672 0.85 IL1B (0.44) IL1BNLRP3KCNH2IDO1TDO2
SCHEMBL27357230 0.85 NLRP3 (0.47) IL1BNLRP3KCNH2CHEK1CHEK2
SCHEMBL31043347 0.83 NLRP3 (0.41) IL1BNLRP3KCNH2CHEK1CHEK2

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 5 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 claimed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN claimed
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
CN-116969920-A Fused pyridazine derivative, preparation method and medical application thereof 上海辉启生物医药科技有限公司 2023-10-31 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 IL1B 10/4885NLRP3 1/4885KCNH2 1139/4885

“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.