SCHEMBL5894291

SCHEMBL5894291

C/C(=N\O)c1ccc2c(c1)C(=O)C(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
TGM2 P21980 5/20 0.49
CES1 P23141 4/20 0.49
MAOA P21397 5/20 0.45
MAOB P27338 5/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
SMYD3 Q9H7B4 1/20 0.45
CAPN9 O14815 1/20 0.44
CASP3 P42574 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
TLK2 Q86UE8 1/20 0.42

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
SCHEMBL5894294 1.00 ALDH1A1 (0.49) ALDH1A1TGM2CES1MAOAMAOB
SCHEMBL29631093 0.76 SMYD3 (0.56) ALDH1A1TGM2CES1MAOAMAOB
SCHEMBL1050601 0.76 SMYD3 (0.56) ALDH1A1TGM2CES1MAOAMAOB
SCHEMBL5893915 0.75 SMYD3 (0.55) ALDH1A1TGM2CES1MAOAMAOB
SCHEMBL30706261 0.75 SMYD3 (0.55) ALDH1A1TGM2CES1MAOAMAOB
SCHEMBL14563297 0.75 TGM2 (0.58) ALDH1A1TGM2CES1MAOAMAOB
SCHEMBL22380701 0.74 PDPK1 (0.57) ALDH1A1TGM2CES1CA12CA1
SCHEMBL3733794 0.73 ALDH1A1 (0.47) ALDH1A1TGM2CES1MAOAMAOB
SCHEMBL29657257 0.71 ROS1 (0.67) ALDH1A1TGM2CES1MAOAMAOB
SCHEMBL281743 0.71 ROS1 (0.67) ALDH1A1TGM2CES1MAOAMAOB

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
EP-1009738-B1 SUBSTITUTED OXINDOLE DERIVATIVES AS PROTEIN TYROSINE KINASE AND AS PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2004-05-19 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-6541503-B2 Preventing chemotherapy induced alopecia. SMITHKLINE BEECHAM CORPORATION 2003-04-01 US disclosed
US-20030004351-A1 Substituted oxindole derivatives as protein tyrosine kinase and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2003-01-02 US disclosed
US-6387919-B1 Substituted oxindole derivatives as protein tyrosine kinase and as protein serine/threonine kinase inhibitors GLAXO WELLCOME INC. 2002-05-14 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-1009738-A1 SUBSTITUTED OXINDOLE DERIVATIVES AS PROTEIN TYROSINE KINASE AND AS PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-21 EP disclosed
WO-1999015500-A1 SUBSTITUTED OXINDOLE DERIVATIVES AS PROTEIN TYROSINE KINASE AND AS PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-04-01 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 3290/4885TGM2 2342/4885CES1 2172/4885
US-20030004351-A1 Substituted oxindole derivatives as protein tyrosine kinase and as protein serine/threonine kinase inhibitors CDK2, CDK1, CCNI ALDH1A1 3136/4885TGM2 2734/4885CES1 1847/4885

“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.