SCHEMBL11699485

SCHEMBL11699485

COCc1ccc(C)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
CASP1 P29466 1/20 0.46
CYP3A4 P08684 3/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.39
CA2 P00918 1/20 0.38
PARP1 P09874 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38

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
SCHEMBL18713938 0.83 SKP2 (0.53) ALDH1A1TDP1CYP3A4GAALMNA
SCHEMBL11242750 0.83 TP53 (0.46) ALDH1A1TDP1CYP3A4GAALMNA
SCHEMBL8750643 0.80 NPC1 (0.42) ALDH1A1TDP1GAALMNATP53
SCHEMBL14661925 0.80 ALDH1A1 (0.43) ALDH1A1TDP1CASP1CYP3A4GAA
SCHEMBL15732192 0.80 ALDH1A1 (0.41) ALDH1A1TDP1CASP1CYP3A4GAA
SCHEMBL19240330 0.79 ALDH1A1 (0.42) ALDH1A1TDP1CASP1CYP3A4GAA
SCHEMBL19175110 0.79 ALDH1A1 (0.42) ALDH1A1TDP1CASP1CYP3A4GAA
SCHEMBL6867025 0.78 ALDH1A1 (0.54) ALDH1A1TDP1CASP1CYP3A4GAA
SCHEMBL9217580 0.78 GAA (0.41) ALDH1A1GAALMNATP53CA2
SCHEMBL1006507 0.78 IDO1 (0.47) ALDH1A1CYP3A4GAALMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736904-B1 OXAZOLE AND THIAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS (C-KIT) AB SCIENCE (FR) 2016-03-16 EP disclosed
EP-2736904-B1 OXAZOLE AND THIAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS (C-KIT) AB SCIENCE (FR) 2016-03-16 EP disclosed
US-9168245-B2 Selective protein kinase inhibitors AB SCIENCE (FR) 2015-10-27 US disclosed
US-9168245-B2 Selective protein kinase inhibitors AB SCIENCE (FR) 2015-10-27 US disclosed
US-9168245-B2 Selective protein kinase inhibitors AB SCIENCE (FR) 2015-10-27 US disclosed
US-20140179698-A1 SELECTIVE PROTEIN KINASE INHIBITORS AB SCIENCE (FR) 2014-06-26 US disclosed
EP-2736904-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS (C-KIT) AB Science (FR) 2014-06-04 EP disclosed
WO-2013014170-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS (C-KIT) AB SCIENCE (FR) 2013-01-31 WO disclosed
WO-2013014170-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS (C-KIT) AB SCIENCE (FR) 2013-01-31 WO disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-4046554-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-09-06 US disclosed
US-3966811-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-06-29 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-20140179698-A1 SELECTIVE PROTEIN KINASE INHIBITORS KIT, MAP3K1, PRKCH ALDH1A1 2869/4885TDP1 1761/4885CASP1 2454/4885

“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.