SCHEMBL29622425

SCHEMBL29622425

Fc1ccc2c(c1)NCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.49
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL3112268 1.00 PYGL (0.49) PYGLPARP1PARP10KDM4EMAPT
Hydrochloric Acid SCHEMBL2144161 0.98 PYGL (0.48) PYGLPARP1PARP10KDM4EMAPT
Hydrochloric Acid SCHEMBL30142485 0.98 PYGL (0.48) PYGLPARP1PARP10KDM4EMAPT
SCHEMBL5467312 0.94 PYGL (0.45) PYGLPARP1PARP10KDM4EMAPT
SCHEMBL30583047 0.88 PARP10 (0.56) PYGLPARP1PARP10MAPTALDH1A1
SCHEMBL549252 0.88 PARP10 (0.56) PYGLPARP1PARP10MAPTALDH1A1
SCHEMBL2216455 0.84 MAPT (0.54) PYGLPARP1PARP10KDM4EMAPT
Hydrochloric Acid SCHEMBL19926551 0.82 MAPT (0.57) PYGLPARP1PARP10KDM4EMAPT
SCHEMBL24286751 0.82 TDP2 (0.48) PYGLPARP1PARP10KDM4EMAPT
SCHEMBL24286750 0.82 PARP10 (0.42) PYGLPARP1PARP10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
CN-115362003-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2022-11-18 CN disclosed
WO-2022087624-A1 COMPOUNDS AS RAS INHIBITORS AND USES THEREOF BIOARDIS LLC (US) 2022-04-28 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-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT PYGL 2456/4885PARP1 2181/4885PARP10 583/4885

“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.