SCHEMBL879946

SCHEMBL879946

COc1cc(C)cc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LCK P06239 1/20 0.42
MAPT P10636 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL4723839 0.90 KMT2A (0.54) KMT2APOLBALDH1A1GAASMN1; SMN2
SCHEMBL7477384 0.87 CA12 (0.48) KMT2AGAAMEN1CYP3A4CYP1A2
SCHEMBL28228415 0.86 ALDH1A1 (0.48) KMT2APOLBALDH1A1GAASMN1; SMN2
SCHEMBL27799643 0.83 KMT2A (0.47) KMT2APOLBALDH1A1GAASMN1; SMN2
SCHEMBL31291935 0.83 KMT2A (0.44) KMT2APOLBALDH1A1GAASMN1; SMN2
SCHEMBL1667284 0.83 KMT2A (0.44) KMT2APOLBALDH1A1GAASMN1; SMN2
SCHEMBL90358 0.82 KDM4E (0.50) KMT2APOLBALDH1A1GAASMN1; SMN2
SCHEMBL1667261 0.82 CASR (0.51) KMT2APOLBALDH1A1GAASMN1; SMN2
SCHEMBL23033141 0.81 ALDH1A1 (0.49) KMT2APOLBALDH1A1GAASMN1; SMN2
SCHEMBL29573568 0.81 ALDH1A1 (0.49) KMT2APOLBALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078122-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-03-19 US disclosed
EP-4673436-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2026-01-07 EP disclosed
WO-2024179948-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-09-06 WO disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 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 (2 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 KMT2A 3163/4885POLB 4431/4885ALDH1A1 836/4885
US-20260078122-A1 INDAZOLE COMPOUNDS AS PKMYT1 KINASE INHIBITORS PKN3, PKMYT1, IP6K3 KMT2A 557/4885POLB 3592/4885ALDH1A1 3032/4885

“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.