SCHEMBL16078680

SCHEMBL16078680

CC(C)(C)[Si](C)(C)Oc1ccc(N)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA9 Q16790 5/20 0.45
ALDH1A1 P00352 2/20 0.39
PREP P48147 4/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
APLNR P35414 2/20 0.35
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
NR4A1 P22736 1/20 0.31
KIT P10721 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CYP3A4 P08684 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
SCHEMBL31401810 0.86 CA12 (0.45) CA12CA1CA9ALDH1A1PREP
SCHEMBL2106653 0.84 CA12 (0.51) CA12CA1CA9ALDH1A1PREP
SCHEMBL6371459 0.82 CA12 (0.47) CA12CA1CA9ALDH1A1PREP
SCHEMBL23190575 0.81 CA12 (0.46) CA12CA1CA9PREPALOX5AP
SCHEMBL28422272 0.81 CA12 (0.46) CA12CA1CA9PREPALOX5AP
SCHEMBL14322245 0.80 CA12 (0.43) CA12CA1CA9PREPALOX5AP
SCHEMBL16071166 0.79 CA12 (0.45) CA12CA1CA9ALDH1A1PREP
SCHEMBL21552157 0.79 CA12 (0.45) CA12CA1CA9ALDH1A1PREP
SCHEMBL29722959 0.79 CA12 (0.45) CA12CA1CA9PREPALOX5AP
SCHEMBL24455832 0.79 CA12 (0.45) CA12CA1CA9ALDH1A1PREP

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
EP-4482832-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2025-01-01 EP disclosed
WO-2023161317-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2023-08-31 WO disclosed
US-9296712-B2 Resorufin derivatives for treatment of oxidative stress disorders EDISON PHARMACEUTICALS, INC. (US) 2016-03-29 US disclosed
US-20140275054-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS EDISON PHARMACEUTICALS, INC. (US) 2014-09-18 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-20140275054-A1 RESORUFIN DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS TXNRD2, NDUFAB1, NDUFAF1 CA12 4877/4885CA1 4824/4885CA9 4878/4885

“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.