SCHEMBL31404976

SCHEMBL31404976

Cc1cc(Cl)cc(O)c1-c1ccc(C(=O)O)nn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 12/20 0.38
▸ NLRP3 Q96P20 4/20 0.37
▸ TNF P01375 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KMO O15229 4/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL31404984 0.85 IL1B (0.39) IL1BNLRP3TNFMAPTRAB9A
SCHEMBL31404971 0.82 IL1B (0.58) IL1BNLRP3TNF
SCHEMBL31405017 0.75 IL1B (0.41) IL1BNLRP3TNF
SCHEMBL31200596 0.69 IL1B (0.45) IL1BNLRP3TNFRAB9A
SCHEMBL22670876 0.69 IL1B (0.45) IL1BNLRP3TNFRAB9A
SCHEMBL2172009 0.69 ALDH1A1 (0.46) KDM4EMAPTTDP1
SCHEMBL31404979 0.68 IL1B (0.58) IL1BNLRP3TNF
SCHEMBL31233661 0.68 NLRP3 (0.39) IL1BNLRP3MAPT
SCHEMBL11209199 0.67 CYP3A4 (0.64) KDM4EMAPTTDP1
SCHEMBL698657 0.66 KDM4E (0.52) KDM4EMAPTTDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115558-A1 PYRIDAZINE DERIVATIVES AND RELATED USES NODTHERA LTD (GB) 2025-04-10 — — US 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-20250115558-A1 PYRIDAZINE DERIVATIVES AND RELATED USES IL1B, NLRP3, NOD1 IL1B 1/4885NLRP3 2/4885TNF 53/4885

“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.

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