SCHEMBL2428993

SCHEMBL2428993

COC(=O)c1ccc(N)c([N+](=O)[O-])c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
GAA P10253 4/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
CFTR P13569 2/20 0.45
ABL1 P00519 1/20 0.44
ALOX15 P16050 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.41
PTGER4 P35408 1/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL27797779 0.87 SMN1; SMN2 (0.46) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL7404251 0.84 GAA (0.49) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL8135381 0.84 SMN1; SMN2 (0.49) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL27862571 0.84 TSHR (0.50) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL15398667 0.84 SMN1; SMN2 (0.50) ALDH1A1GAAMAPTHPGDTSHR
SCHEMBL28404963 0.83 GAA (0.46) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL2427891 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTALOX15TSHR
SCHEMBL136404 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL18737796 0.81 SMN1; SMN2 (0.42) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL543239 0.81 SMN1; SMN2 (0.42) ALDH1A1KDM4EGAAMAPTHPGD

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50594-E1 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-P53 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-09-23 US disclosed
CN-119569740-A Compounds and derivatives thereof as MDM2-P53 inhibitors 勃林格殷格翰国际有限公司 2025-03-07 CN disclosed
CN-119569739-A Compounds and derivatives thereof as MDM2-P53 inhibitors 勃林格殷格翰国际有限公司 2025-03-07 CN disclosed
CN-119569741-A Compounds and derivatives thereof as MDM2-P53 inhibitors 勃林格殷格翰国际有限公司 2025-03-07 CN disclosed
CN-108026052-B 5-hydroxyalkyl benzimidazoles as mIDH1 inhibitors 德国癌症研究公共权益基金会 2021-10-08 CN disclosed
CN-113214270-A Compounds and derivatives thereof as MDM2-P53 inhibitors 勃林格殷格翰国际有限公司 2021-08-06 CN disclosed
CN-108137590-B Spiro (3H-indol-3, 2' -pyrrolidin) -2(1H) -one compounds and their derivatives as MDM2-P53 inhibitors 勃林格殷格翰国际有限公司 2021-04-09 CN disclosed
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-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
EP-2928884-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS Bayer Pharma Aktiengesellschaft (DE) 2015-10-14 EP disclosed
WO-2015121209-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
WO-2015121210-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
WO-2014086739-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-06-12 WO disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 CN disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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-10882866-B1 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-P53 inhibitors TP53, MDM2, FOXM1 ALDH1A1 700/4885KDM4E 3169/4885GAA 3274/4885
US-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 ALDH1A1 323/4885KDM4E 4402/4885GAA 1904/4885

“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.