SCHEMBL15577394

SCHEMBL15577394

O=C(O)Cc1cc(F)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
TDO2 P48775 1/20 0.40
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SNCA P37840 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
MAPK1 P28482 1/20 0.35
PDK1 Q15118 1/20 0.35

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
SCHEMBL29706788 1.00 CYP1A2 (0.53) CYP1A2TDO2ATMTDP1SNCA
SCHEMBL15577420 0.88 CYP1A2 (0.49) CYP1A2ATMTDP1MAPTPKM
SCHEMBL26343277 0.87 CYP1A2 (0.58) CYP1A2ATMTDP1SNCAMAOA
SCHEMBL30886409 0.86 TDO2 (0.39) CYP1A2TDO2ATMTDP1SNCA
SCHEMBL2778997 0.85 CYP1A2 (0.57) CYP1A2ATMTDP1SNCAMAOA
SCHEMBL9565704 0.85 CYP1A2 (0.57) CYP1A2ATMTDP1SNCAMAOA
SCHEMBL18531440 0.82 TDO2 (0.42) CYP1A2TDO2ATMTDP1SNCA
SCHEMBL4283843 0.81 CYP1A2 (0.49) CYP1A2ATMTDP1MAPTPKM
SCHEMBL26684909 0.81 CYP1A2 (0.53) CYP1A2SNCAMAOAMAOBRAB9A
SCHEMBL31434883 0.80 ATM (0.43) CYP1A2TDO2ATMTDP1SNCA

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
WO-2024077273-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-04-11 WO disclosed
CN-114585616-B Amide derivatives and their use in medicine 广东东阳光药业股份有限公司 2024-01-16 CN disclosed
CN-114585616-A Amide derivatives and their use in medicine 广东东阳光药业有限公司 2022-06-03 CN disclosed
WO-2021031071-A1 AMIDE DERIVATIVE AND USE THEREOF IN MEDICINE 广东东阳光药业有限公司 2021-02-25 WO disclosed
EP-3010914-B1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-9616053-B2 Indolin-2-one or pyrrolo-pyridin/pyrimidin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2017-04-11 US disclosed
EP-2895476-B1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2016-06-22 EP disclosed
EP-3010914-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-27 EP disclosed
US-20160095844-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-04-07 US disclosed
US-9221816-B2 2-oxo-2,3-dihydro-indoles for the treatment of CNS disorders HOFFMANN LA-ROCHE INC. (US) 2015-12-29 US disclosed
US-20150284386-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE INC. (US) 2015-10-08 US disclosed
EP-2895476-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-La Roche AG (CH) 2015-07-22 EP disclosed
WO-2014202493-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-24 WO disclosed
WO-2014040969-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 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 (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-20160095844-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HTR2C, OPRD1, DRD3 CYP1A2 176/4885TDO2 131/4885ATM 3130/4885
US-20150284386-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HCRTR2, TPH2, CNR2 CYP1A2 86/4885TDO2 12/4885ATM 4565/4885

“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.