SCHEMBL7793020

SCHEMBL7793020

COc1ccc(/C(=N/O)C(F)(F)F)cc1C(O[SiH](C)C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
TSHR P16473 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
SCHEMBL7793035 1.00 GAA (0.37) GAAALDH1A1ALOX15HSD17B10MEN1
SCHEMBL30219459 0.75 GAA (0.54) GAAALDH1A1ALOX15HSD17B10MEN1
SCHEMBL7247135 0.75 GAA (0.54) GAAALDH1A1ALOX15HSD17B10MEN1
SCHEMBL7247134 0.75 GAA (0.54) GAAALDH1A1ALOX15HSD17B10MEN1
SCHEMBL7792144 0.73 SMN1; SMN2 (0.35) GAAPOLBSMN1; SMN2TSHR
SCHEMBL7791954 0.71
SCHEMBL7792096 0.69 CNR2 (0.40) GAAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4738317 0.66 KMT2A (0.40) ALDH1A1MEN1KMT2ATSHR
SCHEMBL7802400 0.65 TSHR (0.35) GAASMN1; SMN2TSHR
SCHEMBL7793029 0.65 ALDH1A1 (0.36) GAAALDH1A1ALOX15HSD17B10MEN1

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
US-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-09-27 US disclosed
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed
EP-1025087-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-08-09 EP disclosed
WO-1999021836-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 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-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A GAA 2863/4885ALDH1A1 494/4885ALOX15 2959/4885

“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.