SCHEMBL1408443

SCHEMBL1408443

O=[N+]([O-])c1ccc(I)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.50
ALDH1A1 P00352 6/20 0.49
POLB P06746 1/20 0.48
RORC P51449 1/20 0.44
HIF1A Q16665 1/20 0.43
AR P10275 5/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.42
FFAR4 Q5NUL3 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL31601785 1.00 PDE7A (0.50) PDE7AALDH1A1POLBRORCHIF1A
SCHEMBL19746948 0.85 PDE7A (0.47) PDE7AALDH1A1POLBRORCHIF1A
SCHEMBL1999857 0.82 PDE7A (0.54) PDE7AALDH1A1POLBHIF1AAR
SCHEMBL26218875 0.81 HTT (0.55) PDE7AALDH1A1LMNAHTTMEN1
SCHEMBL3207733 0.81 AR (0.53) PDE7AALDH1A1POLBARMAPT
SCHEMBL10939165 0.80 AR (0.47) PDE7AALDH1A1POLBRORCAR
SCHEMBL3965308 0.79 PDE7A (0.51) PDE7AALDH1A1POLBHIF1AAR
SCHEMBL85544 0.79 ALDH1A1 (0.58) PDE7AALDH1A1POLBHIF1AAR
SCHEMBL31138869 0.79 ALDH1A1 (0.53) PDE7AALDH1A1POLBHIF1AAR
Water SCHEMBL27993079 0.79 AR (0.52) PDE7AALDH1A1POLBARMAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111807964-B Preparation method of 4,4 '-dinitro-2,2' -bis (trifluoromethyl) diphenyl ether 天津众泰材料科技有限公司 2023-01-10 CN claimed
CN-111807964-A Preparation method of 4,4 '-dinitro-2, 2' -bistrifluoromethyldiphenyl ether 天津市众泰化工科技有限公司 2020-10-23 CN claimed
CN-111807964-B Preparation method of 4,4 '-dinitro-2,2' -bis (trifluoromethyl) diphenyl ether 天津众泰材料科技有限公司 2023-01-10 CN disclosed
CN-111807964-A Preparation method of 4,4 '-dinitro-2, 2' -bistrifluoromethyldiphenyl ether 天津市众泰化工科技有限公司 2020-10-23 CN disclosed
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
EP-2881384-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2015-06-10 EP disclosed
US-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-07-19 US disclosed
US-8030311-B2 Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-1874770-B1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-09 EP disclosed
EP-1874770-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS Novartis Pharma AG (CH) 2008-01-09 EP disclosed
WO-2006108640-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2006-10-19 WO disclosed
US-6608071-B2 Angiogenesis inhibitors as antitumor agents NOVARTIS AG (CH) 2003-08-19 US disclosed
US-20020010181-A1 Isoquinoline derivatives with angiogenesis inhibiting activity NOVARTIS AG (CH) 2002-01-24 US disclosed
EP-1107964-A1 ISOQUINOLINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY Novartis AG (CH) 2001-06-20 EP disclosed
WO-2000009495-A1 ISOQUINOLINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY NOVARTIS AG (CH) 2000-02-24 WO disclosed
US-5622952-A NERVOUS SYSTEM DISORDERS; ADMINISTERING 1,4-DIHYDROQUINOXALINE-2,3-DIONE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-22 US disclosed
US-5620979-A TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA OR SURGERY STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-15 US disclosed
US-5514680-A ANTICONVULSANTS WITH 5,6,7-TRISUBSTITUTED-1,4-DIHYDROQUINOXALINE-2,3-DIONE THE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-05-07 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 (3 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-20020010181-A1 Isoquinoline derivatives with angiogenesis inhibiting activity VEGFA, CCNY, PGF PDE7A 2725/4885ALDH1A1 1995/4885POLB 1121/4885
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 PDE7A 2016/4885ALDH1A1 2293/4885POLB 3574/4885
US-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS MAP3K10, MAP3K20, MAP3K9 PDE7A 2539/4885ALDH1A1 3213/4885POLB 1988/4885

“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.