SCHEMBL16070109

SCHEMBL16070109

CC(C)(c1cc(=O)c([N+](=O)[O-])c[nH]1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CYP3A4 P08684 5/20 0.33
TSHR P16473 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 1/20 0.33
HIF1A Q16665 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
GPR35 Q9HC97 1/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIK1 P39086 1/20 0.33

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
SCHEMBL31661340 0.67 KDM4E (0.43) KDM4ECA12CA9CYP3A4TSHR
SCHEMBL9774814 0.64 CA12 (0.43) KDM4ECA12CA9CYP3A4TSHR
SCHEMBL18336721 0.61 ALDH1A1 (0.37) KDM4ECYP3A4TSHRALDH1A1HPGD
SCHEMBL9731221 0.60 KDM4E (0.56) KDM4ECYP3A4TSHRALDH1A1HPGD
SCHEMBL4057148 0.60 KDM4E (0.61) KDM4ECYP3A4TSHRALDH1A1HPGD
SCHEMBL1201806 0.60 KDM4E (0.52) KDM4ECYP3A4TSHRALDH1A1HPGD
SCHEMBL22576052 0.59 KDM4E (0.55) KDM4ECYP3A4TSHRALDH1A1HPGD
SCHEMBL16055214 0.58 SMN1; SMN2 (0.36) CYP3A4TSHRALDH1A1HPGDTDP1
SCHEMBL28869321 0.58 KDM4E (0.44) KDM4ECYP3A4TSHRALDH1A1TDP1
SCHEMBL22244098 0.58 DAO (0.45) ALDH1A1LMNAMAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789100-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-17 US disclosed
US-9789100-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-17 US disclosed
US-9789100-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-17 US disclosed
EP-2970191-B1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2016-12-21 EP disclosed
EP-2970191-B1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2016-12-21 EP disclosed
US-20160271123-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-09-22 US disclosed
US-20160271123-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-09-22 US disclosed
US-20160271123-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-09-22 US disclosed
US-9382238-B2 Pyridine derivatives as rearranged during transfection (RET) kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-07-05 US disclosed
US-9382238-B2 Pyridine derivatives as rearranged during transfection (RET) kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-07-05 US disclosed
US-9382238-B2 Pyridine derivatives as rearranged during transfection (RET) kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-07-05 US disclosed
US-20160002215-A1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-01-07 US disclosed
US-20160002215-A1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-01-07 US disclosed
US-20160002215-A1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-01-07 US disclosed
WO-2014141187-A1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-09-18 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 (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-20160271123-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB KDM4E 4282/4885CA12 1897/4885CA9 891/4885
US-20160002215-A1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS RET, FER, NTRK1 KDM4E 3848/4885CA12 2780/4885CA9 1355/4885

“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.