SCHEMBL17533489

SCHEMBL17533489

O=C1Nc2cc(Cl)ccc2/C1=N/CCO

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.53
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
TGM2 P21980 2/20 0.41
GALR3 O60755 1/20 0.41
IDO1 P14902 1/20 0.41
PPOX P50336 1/20 0.41
LRRK2 Q5S007 3/20 0.41
CHEK1 O14757 1/20 0.40
KDR P35968 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL5751027 0.76 CES1 (0.61) CES1CA1CA2CA12CA4
SCHEMBL7049823 0.74 CES1 (0.67) CES1CA1CA2TGM2GALR3
SCHEMBL7049827 0.74 CES1 (0.67) CES1CA1CA2TGM2GALR3
SCHEMBL8872987 0.73 CES1 (0.65) CES1CA1CA2TGM2GALR3
SCHEMBL8872979 0.73 CES1 (0.65) CES1CA1CA2TGM2GALR3
SCHEMBL18738195 0.72 ABL1 (0.40) CES1CA1CA2CA12CA4
SCHEMBL624085 0.70 CES1 (1.00) CES1TGM2PPOXCHEK1
SCHEMBL29494851 0.70 CES1 (1.00) CES1TGM2PPOXCHEK1
SCHEMBL8871695 0.70 CES1 (0.70) CES1CA1CA2TGM2PPOX
SCHEMBL8871691 0.70 CES1 (0.70) CES1CA1CA2TGM2PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-10919913-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-p53 inhibitors TP53, MDM2, FOXM1 CES1 3964/4885CA1 2433/4885CA2 2309/4885
US-20170247394-A1 SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS TP53, MDM2, FOXM1 CES1 3990/4885CA1 2372/4885CA2 2275/4885
US-20190169209-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS TP53, MDM2, FOXM1 CES1 3844/4885CA1 2584/4885CA2 2502/4885

“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.