SCHEMBL18737697

SCHEMBL18737697

NCCNC(=O)/C=C/c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PYGL P06737 9/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NLRP3 Q96P20 1/20 0.38
GLA P06280 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
SCHEMBL18737420 0.75 PYGL (0.41) PYGLMAPTHTTMAOBCYP1A2
SCHEMBL9520373 0.72 MAOA (0.51) MAPTMAOBMAOAKMT2AMEN1
SCHEMBL77016 0.72 MAPK1 (0.56) MAPTMAOBMAOANFKB1KMT2A
SCHEMBL9520363 0.72 MAOA (0.51) MAPTMAOBMAOAKMT2AMEN1
SCHEMBL77017 0.72 MAPK1 (0.56) MAPTMAOBMAOANFKB1KMT2A
SCHEMBL1344920 0.71 PYGL (0.83) PYGLHPGD
SCHEMBL1344919 0.71 PYGL (0.83) PYGLHPGD
SCHEMBL4607445 0.70 KMT2A (0.75) MAPTHTTKMT2AMEN1HPGD
SCHEMBL4387123 0.70 MAOA (0.53) MAPTHTTMAOBMAOACYP1A2
SCHEMBL4607437 0.70 KMT2A (0.75) MAPTHTTKMT2AMEN1HPGD

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
EP-3359542-B1 SPIRO[3H-INDOLE-3,2´-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-17 EP disclosed
US-10882866-B1 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-P53 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-05 US disclosed
US-10717742-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-P53 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-07-21 US disclosed
US-20170174695-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-22 US disclosed
US-20170174695-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-22 US disclosed
WO-2017060431-A1 SPIRO[3H-INDOLE-3,2´-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-04-13 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-20170174695-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS TP53, MDM2, FOXM1 PYGL 1784/4885MAPT 2534/4885HTT 574/4885
US-10717742-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-P53 inhibitors TP53, MDM2, FOXM1 PYGL 1611/4885MAPT 2834/4885HTT 567/4885
US-10882866-B1 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-P53 inhibitors TP53, MDM2, FOXM1 PYGL 1694/4885MAPT 2631/4885HTT 616/4885

“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.