SCHEMBL17533490

SCHEMBL17533490

Cc1cc([N+](=O)[O-])c(C=O)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ CYP3A4 P08684 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ PRKDC P78527 1/20 0.53
▸ CYP1A2 P05177 1/20 0.49
▸ ERN1 O75460 4/20 0.47
▸ TSHR P16473 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CCR6 P51684 1/20 0.37

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
SCHEMBL7826900 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4MAPTHSD17B10KDM4E
SCHEMBL30412897 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4MAPTHSD17B10KDM4E
SCHEMBL2721914 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPTHSD17B10KDM4E
SCHEMBL21129913 0.80 ALDH1A1 (0.54) ALDH1A1CYP3A4MAPTHSD17B10KDM4E
SCHEMBL9910897 0.79 CYP3A4 (0.58) ALDH1A1CYP3A4MAPTHSD17B10KDM4E
SCHEMBL17533407 0.79 CYP1A2 (0.42) ALDH1A1CYP3A4MAPTHSD17B10KDM4E
SCHEMBL21566 0.79 CYP1A2 (0.57) ALDH1A1CYP3A4MAPTHSD17B10CYP1A2
SCHEMBL29727863 0.79 CYP1A2 (0.57) ALDH1A1CYP3A4MAPTHSD17B10CYP1A2
SCHEMBL22835866 0.79 ERN1 (0.56) ALDH1A1CYP3A4MAPTHSD17B10KDM4E
SCHEMBL8807505 0.79 MAPT (0.53) ALDH1A1CYP3A4MAPTHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210101912-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-04-08 — — US disclosed
US-10919913-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-p53 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-16 — — US disclosed
US-20190169209-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-06-06 — — US disclosed
EP-3183254-B1 NEW SPIRO[3H-INDOLE-3,2´-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-05-22 — — EP disclosed
US-10246467-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-p53 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-04-02 — — US disclosed
US-20170247394-A1 SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-31 — — US disclosed
US-20170247394-A1 SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-31 — — US disclosed
WO-2016026937-A1 NEW SPIRO[3H-INDOLE-3,2´-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-25 — — 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-20210101912-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS TP53, MDM2, FOXM1 ALDH1A1 865/4885CYP3A4 1400/4885MAPT 2387/4885
US-10919913-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-p53 inhibitors TP53, MDM2, FOXM1 ALDH1A1 1055/4885CYP3A4 1214/4885MAPT 2605/4885
US-20170247394-A1 SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS TP53, MDM2, FOXM1 ALDH1A1 1052/4885CYP3A4 1220/4885MAPT 2646/4885
US-20190169209-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS TP53, MDM2, FOXM1 ALDH1A1 865/4885CYP3A4 1400/4885MAPT 2387/4885
US-10246467-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-p53 inhibitors TP53, MDM2, FOXM1 ALDH1A1 1055/4885CYP3A4 1214/4885MAPT 2605/4885

“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.

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