SCHEMBL130301

SCHEMBL130301

COC(=O)c1ncc(C)s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 2/20 0.40
SMYD3 Q9H7B4 1/20 0.40
NOS1 P29475 1/20 0.40
TP53 P04637 1/20 0.40
FDPS P14324 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK10 P53779 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL128677 0.80 CDC7 (0.46) MAPK1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL24958731 0.79 MAPK1 (0.44) MAPK1ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL127433 0.79 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL12124194 0.79 SMYD3 (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL27858608 0.78 NOS1 (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL12766570 0.78 MAPK1 (0.43) MAPK1ALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL24369745 0.78 ALDH1A1 (0.46) MAPK1ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL25223823 0.78 MAPK1 (0.43) MAPK1ALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL130300 0.78 MAPK1 (0.43) MAPK1ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL13260686 0.78 MAPK1 (0.43) MAPK1ALDH1A1KDM4EL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564239-B9 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN INC (US) 2023-04-19 EP disclosed
US-20230043400-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2023-02-09 US disclosed
US-20200317691-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2020-10-08 US disclosed
EP-3564239-A1 ARYL HYDROCARBON RECEPTOR MODULATOR Shenzhen Immunova Pharmaceutical Co., Ltd. (CN) 2019-11-06 EP disclosed
US-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2019-04-18 US disclosed
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 US disclosed
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 US disclosed
US-9896458-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2018-02-20 US disclosed
US-9896458-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2018-02-20 US disclosed
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 US disclosed
US-20110245268-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-20110118279-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-20100093752-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-7662823-B2 Pharmaceutical formulations of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-16 US disclosed
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US 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 (11 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-20100093752-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP MAPK1 4623/4885ALDH1A1 1175/4885KDM4E 1004/4885
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB MAPK1 265/4885ALDH1A1 4405/4885KDM4E 1466/4885
US-20200317691-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB MAPK1 265/4885ALDH1A1 4405/4885KDM4E 1466/4885
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 MAPK1 4706/4885ALDH1A1 1360/4885KDM4E 1380/4885
US-20110245268-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP MAPK1 4623/4885ALDH1A1 1175/4885KDM4E 1004/4885
US-20230043400-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB MAPK1 265/4885ALDH1A1 4405/4885KDM4E 1466/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 MAPK1 4706/4885ALDH1A1 1360/4885KDM4E 1380/4885
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB MAPK1 265/4885ALDH1A1 4405/4885KDM4E 1466/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 MAPK1 3503/4885ALDH1A1 580/4885KDM4E 1902/4885
US-20110118279-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP MAPK1 4623/4885ALDH1A1 1175/4885KDM4E 1004/4885
US-20190112318-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB MAPK1 265/4885ALDH1A1 4405/4885KDM4E 1466/4885

“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.