SCHEMBL24548722

SCHEMBL24548722

CC(C)c1cc(Oc2ccc(-n3nc(C#N)c(=O)[nH]c3=O)cc2F)n[nH]c1=O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 19/20 0.67
THRB P10828 19/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C8 P10632 1/20 0.67
UGT1A1 P22309 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49

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
SCHEMBL24548725 0.89 THRA (0.67) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL24548727 0.89 THRA (0.78) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL24548731 0.89 THRA (0.67) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL24032176 0.88 THRA (0.79) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL25240420 0.85 THRA (0.49) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL23245036 0.84 THRA (0.88) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL24548661 0.81 THRA (0.45) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL24548682 0.81 THRA (0.45) THRATHRBCYP2C9CYP2C8
Resmetirom SCHEMBL2927241 0.80 THRA (1.00) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL25673785 0.80 THRA (0.79) THRATHRBCYP2C9CYP2C8UGT1A1

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-20230167091-A1 SUBSTITUTED PYRIDAZINONE COMPOUND AND USE THEREOF Shandong First Medical University & Shandong Academy Of Medical Sciences (CN) 2023-06-01 US disclosed
WO-2022127779-A1 SUBSTITUTED PYRIDAZINONE COMPOUND AND USE THEREOF 山东第一医科大学(山东省医学科学院) 2022-06-23 WO 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-20230167091-A1 SUBSTITUTED PYRIDAZINONE COMPOUND AND USE THEREOF THRB, TPO, TSHR THRA 4/4885THRB 1/4885CYP2C9 379/4885

“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.