SCHEMBL15577645

SCHEMBL15577645

COC(=O)C(C(=O)OC)c1cc(F)c([N+](=O)[O-])cc1Br

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
PKM P14618 1/20 0.40
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
ESPL1 Q14674 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
CA1 P00915 1/20 0.35
MMP2 P08253 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.34

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
SCHEMBL30886466 0.89 ALDH1A1 (0.54) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL10293559 0.89 ALDH1A1 (0.54) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL8769251 0.83 ALDH1A1 (0.54) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL15577646 0.83 MAPT (0.38) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL31219787 0.79 ALDH1A1 (0.55) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL26685018 0.78 ALDH1A1 (0.54) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL24876445 0.77 AKR1C2 (0.39) ALDH1A1PKMMEN1KMT2AMAPT
SCHEMBL16207495 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTESPL1
SCHEMBL16216341 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTESPL1
SCHEMBL30192755 0.77 AKR1C2 (0.39) ALDH1A1PKMMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 475/4885PKM 2727/4885MEN1 4363/4885
US-20150284386-A1 2-OXO-2,3-DIHYDRO-INDOLES FOR THE TREATMENT OF CNS DISORDERS HCRTR2, TPH2, CNR2 ALDH1A1 1145/4885PKM 2402/4885MEN1 2466/4885

“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.