SCHEMBL24548665

SCHEMBL24548665

COc1cc(-n2nc(C#N)c(=O)[nH]c2=O)ccc1Oc1n[nH]c(=O)c(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 12/20 0.45
THRB P10828 12/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C8 P10632 1/20 0.45
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
OPRK1 P41145 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NTRK1 P04629 1/20 0.34
IGF1R P08069 1/20 0.34
FGFR1 P11362 1/20 0.34
NTRK2 Q16620 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD9 Q9H8M2 2/20 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
SCHEMBL24548682 0.88 THRA (0.45) THRATHRBCYP2C9CYP2C8
SCHEMBL25673742 0.88 THRA (0.54) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL24548731 0.81 THRA (0.67) THRATHRBCYP2C9CYP2C8
SCHEMBL24548679 0.81 THRA (0.49) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL22660393 0.80 THRA (0.66) THRATHRBCYP2C9CYP2C8
SCHEMBL24548672 0.79 THRA (0.51) THRATHRBCYP2C9CYP2C8
SCHEMBL24548677 0.79 THRA (0.47) THRATHRBCYP2C9CYP2C8NPC1
SCHEMBL24548668 0.77 THRA (0.44) THRATHRBCYP2C9CYP2C8
SCHEMBL25673739 0.76 THRA (0.58) THRATHRBCYP2C9CYP2C8
SCHEMBL16703956 0.72 L3MBTL1 (0.60) THRATHRBCYP2C9CYP2C8NPC1

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.