SCHEMBL14662012

SCHEMBL14662012

COCc1ccc(C)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ TSHR P16473 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ RECQL P46063 1/20 0.51
▸ KMT2A Q03164 6/20 0.46
▸ HPGD P15428 3/20 0.46
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 5/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ MAPT P10636 5/20 0.41
▸ GAA P10253 2/20 0.41
▸ HTT P42858 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL28762606 0.88 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4RECQLKMT2A
SCHEMBL11247481 0.86 CYP3A4 (0.50) ALDH1A1TSHRCYP3A4SMN1; SMN2MAPT
SCHEMBL14661914 0.83 ALDH1A1 (0.49) ALDH1A1TSHRCYP3A4RECQLKMT2A
SCHEMBL30209222 0.83 SNCA (0.41) ALDH1A1CYP3A4SMN1; SMN2GAAHTT
SCHEMBL19175047 0.82 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4RECQLKMT2A
SCHEMBL17704660 0.82 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4RECQLKMT2A
SCHEMBL11231634 0.81 TSHR (0.54) ALDH1A1TSHRCYP3A4RECQLKMT2A
SCHEMBL28560132 0.81 PDK1 (0.47) ALDH1A1CYP3A4KMT2AMEN1SMN1; SMN2
SCHEMBL2708859 0.81 ALDH1A1 (0.51) ALDH1A1RECQLKMT2AMEN1SMN1; SMN2
SCHEMBL29707982 0.81 VCAM1 (0.51) ALDH1A1HPGDMAPTLMNAMAPK1

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 9 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

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 2869/4885TSHR 2029/4885CYP3A4 4163/4885

“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.

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