SCHEMBL7098948

SCHEMBL7098948

O=C(O)c1cc(Cl)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
TTR P02766 1/20 0.43
PPOX P50336 1/20 0.43
KMT2A Q03164 1/20 0.43
VCAM1 P19320 2/20 0.41
EIF4E P06730 1/20 0.41
TSHR P16473 2/20 0.40
SLC25A1 P53007 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CASP6 P55212 1/20 0.40
TOP1 P11387 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
GPR35 Q9HC97 1/20 0.39
MAPK1 P28482 1/20 0.38
ATM Q13315 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
SCHEMBL7752178 0.93 DTYMK (0.46) DTYMKTDP1MEN1TTRPPOX
SCHEMBL3902768 0.85 DTYMK (0.51) DTYMKTDP1MEN1TTRPPOX
SCHEMBL405684 0.85 DTYMK (0.51) DTYMKTDP1MEN1KMT2ATSHR
SCHEMBL29596737 0.84 DTYMK (0.50) DTYMKTDP1MEN1TTRPPOX
SCHEMBL2894347 0.84 DTYMK (0.50) DTYMKTDP1MEN1TTRPPOX
SCHEMBL2977714 0.84 DTYMK (0.50) DTYMKTDP1MEN1TTRPPOX
SCHEMBL194902 0.81 TDP1 (0.50) TDP1MEN1KMT2AVCAM1MAPK1
SCHEMBL28135877 0.81 TSHR (0.40) VCAM1TSHR
SCHEMBL15203579 0.81 DTYMK (0.47) DTYMKTDP1MEN1TTRKMT2A
SCHEMBL11614707 0.81 TSHR (0.49) DTYMKTDP1MEN1TTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308637-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-06-04 US disclosed
US-20190002437-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2019-01-03 US disclosed
US-10023557-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2018-07-17 US disclosed
US-10023557-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2018-07-17 US disclosed
EP-3316884-A1 THERAPEUTIC INHIBITORY COMPOUDS Lifesci Pharmaceuticals, Inc. (BB) 2018-05-09 EP disclosed
US-9567304-B2 Quinazolinedione derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-02-14 US disclosed
US-9567304-B2 Quinazolinedione derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-02-14 US disclosed
US-9567304-B2 Quinazolinedione derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-02-14 US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 US disclosed
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-02-02 US disclosed
WO-2017001924-A1 THERAPEUTIC INHIBITORY COMPOUDS LIFESCI PHARMACEUTICALS, INC. (BB) 2017-01-05 WO disclosed
EP-2842946-B1 QUINAZOLINEDIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-09-28 EP disclosed
EP-2842946-B1 QUINAZOLINEDIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-09-28 EP disclosed
US-20150141400-A1 QUINAZOLINEDIONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-05-21 US disclosed
US-20150141400-A1 QUINAZOLINEDIONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-05-21 US disclosed
US-20150141400-A1 QUINAZOLINEDIONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-05-21 US disclosed
EP-2842946-A1 QUINAZOLINEDIONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2015-03-04 EP disclosed
EP-2842946-A1 QUINAZOLINEDIONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2015-03-04 EP disclosed
WO-2013161853-A1 QUINAZOLINEDIONE DERIVATIVE 中外製薬株式会社 (JP) 2013-10-31 WO disclosed
WO-2003095417-A1 PROCESS FOR THE MANUFACTURE OF 4-FLUORO-ANTHRANILIC ACID MITENI S.P.A. (IT) 2003-11-20 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 (5 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-10308637-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 DTYMK 1672/4885TDP1 3331/4885MEN1 1423/4885
US-20170029406-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 DTYMK 1672/4885TDP1 3331/4885MEN1 1423/4885
US-10023557-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 DTYMK 1672/4885TDP1 3331/4885MEN1 1423/4885
US-20190002437-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 DTYMK 1672/4885TDP1 3331/4885MEN1 1423/4885
US-20150141400-A1 QUINAZOLINEDIONE DERIVATIVE PPARD, SLC5A2, PPARG DTYMK 3793/4885TDP1 4283/4885MEN1 4178/4885

“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.