SCHEMBL24023635

SCHEMBL24023635

C=C/C=N\c1ccc(C(C)C)cc1C=C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ CACNA1C Q13936 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL25695775 0.78 LMNA (0.44) TYRLMNACYP2C9TRPA1PTGS1
SCHEMBL20852892 0.77 CYP3A4 (0.41) LMNAALDH1A1GAAALOX12HTT
SCHEMBL18489056 0.73 MAPT (0.39) ALDH1A1GAA
SCHEMBL24023641 0.72 CYP2C9 (0.37) LMNACYP2C9ALDH1A1GAA
SCHEMBL30322428 0.71 LMNA (0.52) TYRLMNATRPA1PTGS1CACNA1C
SCHEMBL7122025 0.71 LMNA (0.52) TYRLMNATRPA1PTGS1CACNA1C
SCHEMBL449241 0.71 TYR (0.40) TYRLMNATRPA1PTGS1CACNA1C
SCHEMBL25599236 0.70 TYR (0.38) TYRLMNACYP2C9TRPA1PTGS1
SCHEMBL24173430 0.69 ALDH1A1 (0.43) TYRLMNACYP2C9TRPA1PTGS1
SCHEMBL22422813 0.69 ALDH1A1 (0.47) TYRLMNATRPA1PTGS1CACNA1C

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-20210355103-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2021-11-18 — — 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-20210355103-A1 PARG INHIBITORS AND METHOD OF USE THEREOF PARG, PARP12, PARN TYR 1440/4885LMNA 883/4885CYP2C9 792/4885

“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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