SCHEMBL5894013

SCHEMBL5894013

CCOC(=O)C(C(=O)OCC)c1ccncc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 3/20 0.40
AGTR1 P30556 2/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 6/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
CRHBP P24387 1/20 0.37
CRHR2 Q13324 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
SCHEMBL15649573 0.92 ALDH1A1 (0.43) ALDH1A1KMT2AAGTR1MEN1L3MBTL1
SCHEMBL16485936 0.89 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1L3MBTL1PKM
SCHEMBL13221961 0.84 ALDH1A1 (0.37) ALDH1A1KMT2AAGTR1MEN1L3MBTL1
SCHEMBL3117594 0.83 GAA (0.47) ALDH1A1KMT2AAGTR1MEN1L3MBTL1
SCHEMBL2343248 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL10091749 0.80 ALDH1A1 (0.77) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL3330505 0.79 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL3330500 0.79 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL6808913 0.79 ALDH1A1 (0.38) ALDH1A1KMT2AAGTR1MEN1KDM4E
SCHEMBL492480 0.76 CYP1A2 (0.47) ALDH1A1KMT2AMEN1MAPTSMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105529-B2 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 US disclosed
US-6815439-B2 PYRROLO(2,3-B)PYRIDINE DERIVATIVES AS CYCLIN-DEPENDENT KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2004-11-09 US disclosed
US-20040072836-A1 Substituted aza-oxindole derivatives HARRIS PHILIP ANTHONY (US) 2004-04-15 US disclosed
US-6624171-B1 Useful as cyclin dependent kinase 11 inhibitors, for preventing/reducing the severity of epithelial cytotoxicity side-effects (e.g., alopecia, plantar- palmar syndrome, mucositis) induced by chemotherapy and/or radiation therapy SMITHKLINE BEECHAM CORPORATION 2003-09-23 US disclosed
EP-1180105-B1 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-05-14 EP disclosed
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION 2003-04-10 US disclosed
US-6369086-B1 Substituted oxidole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-04-09 US disclosed
EP-1180105-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-02-20 EP disclosed
WO-2000055159-A2 SUBSTITUTED AZA-OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-09-21 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-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SRC, CDK2, CDK1 ALDH1A1 3290/4885KMT2A 2347/4885AGTR1 1245/4885
US-20040072836-A1 Substituted aza-oxindole derivatives CCNI, AZI2, CDKN1A ALDH1A1 1625/4885KMT2A 1279/4885AGTR1 1670/4885

“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.