SCHEMBL10165092

SCHEMBL10165092

COc1cc(C)cc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
MEN1 O00255 4/20 0.54
MAPT P10636 4/20 0.54
KMT2A Q03164 4/20 0.54
HTT P42858 3/20 0.54
MAPK1 P28482 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
ACHE P22303 2/20 0.47
HSD17B10 Q99714 1/20 0.43
ALOX5 P09917 2/20 0.43
ALDH1A1 P00352 1/20 0.42
NFE2L2 Q16236 1/20 0.41
CYP19A1 P11511 1/20 0.41
APP P05067 1/20 0.41
KDM4E B2RXH2 1/20 0.41
G6PD P11413 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL8008016 0.87 PTGS1 (0.59) TSHRMEN1MAPTKMT2AHTT
SCHEMBL309863 0.87 LMNA (0.61) TSHRMEN1MAPTKMT2AHTT
SCHEMBL635130 0.80 TSHR (0.90) TSHRMEN1KMT2AHTTLMNA
SCHEMBL1097495 0.80 TSHR (1.00) TSHRMEN1KMT2AHTTLMNA
SCHEMBL16588340 0.79 TSHR (0.59) TSHRMEN1MAPTKMT2AHTT
SCHEMBL16958006 0.79 TSHR (0.59) TSHRMEN1MAPTKMT2AHTT
SCHEMBL18677858 0.79 TSHR (0.53) TSHRMEN1MAPTKMT2ALMNA
SCHEMBL17214759 0.79 TSHR (0.49) TSHRMEN1MAPTKMT2AHTT
SCHEMBL189811 0.78 MAPT (0.56) TSHRMEN1MAPTKMT2AHTT
SCHEMBL1689643 0.78 LMNA (0.49) TSHRMEN1MAPTKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180042908-A1 PHENYL DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2018-02-15 US disclosed
US-9820980-B2 Phenyl derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2017-11-21 US disclosed
US-9676719-B2 Phenyl derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2017-06-13 US disclosed
US-20160213660-A1 PHENYL DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2016-07-28 US disclosed
US-9340499-B2 Phenyl derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-17 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20150126486-A1 PHENYL DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2015-05-07 US disclosed
US-8975409-B2 Phenyl derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2015-03-10 US disclosed
US-20140235611-A1 PHENYL DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2014-08-21 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 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 (8 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-20150126486-A1 PHENYL DERIVATIVE S1PR2, S1PR1, S1PR3 TSHR 2487/4885MEN1 1038/4885MAPT 4759/4885
US-20090054466-A1 Leukotriene B4 Inhibitors LTB4R2, LTB4R, LTC4S TSHR 2676/4885MEN1 4324/4885MAPT 4334/4885
US-20180042908-A1 PHENYL DERIVATIVE S1PR2, S1PR1, S1PR3 TSHR 2094/4885MEN1 1010/4885MAPT 4752/4885
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 TSHR 1410/4885MEN1 2485/4885MAPT 3359/4885
US-20160213660-A1 PHENYL DERIVATIVE S1PR2, S1PR1, S1PR3 TSHR 2094/4885MEN1 1010/4885MAPT 4752/4885
US-20140235611-A1 PHENYL DERIVATIVE S1PR2, S1PR1, S1PR3 TSHR 2487/4885MEN1 1038/4885MAPT 4759/4885
US-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 TSHR 1965/4885MEN1 1681/4885MAPT 2899/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 TSHR 681/4885MEN1 2580/4885MAPT 3848/4885

“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.