SCHEMBL24023641

SCHEMBL24023641

C=C/C=N\c1cc(C(C)CC)ccc1C=C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL17160038 0.74 ALDH1A1 (0.42) CYP2C9ALDH1A1GAAUSP2PKM
SCHEMBL16240943 0.74 ALDH1A1 (0.42) CYP2C9ALDH1A1GAAUSP2PKM
SCHEMBL24023635 0.72 TYR (0.34) CYP2C9ALDH1A1GAALMNA
SCHEMBL25599236 0.69 TYR (0.38) CYP2C9ALDH1A1GAASCN10ALMNA
SCHEMBL25695775 0.67 LMNA (0.44) CYP2C9ALDH1A1GAAPKMALOX15
SCHEMBL22023861 0.66 USP2 (0.37) CYP2C9ALDH1A1GAAUSP2PKM
SCHEMBL28204581 0.65 TYR (0.43) ALDH1A1GAAHPGDALOX15SCN10A
SCHEMBL19187436 0.65 ALDH1A1 (0.42) CYP2C9ALDH1A1GAAUSP2PKM
SCHEMBL19102522 0.64 ALDH1A1 (0.41) ALDH1A1
SCHEMBL11517329 0.64 ALDH1A1 (0.48) CYP2C9ALDH1A1GAAUSP2PKM

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 CYP2C9 792/4885ALDH1A1 2378/4885GAA 1006/4885

“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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