SCHEMBL5325427

SCHEMBL5325427

O=C1Nc2ccc(O)cc2C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 5/20 0.66
▸ CES1 P23141 4/20 0.66
▸ EGFR P00533 1/20 0.57
▸ MAOA P21397 6/20 0.55
▸ MAOB P27338 6/20 0.55
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CAPN9 O14815 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ PDE3B Q13370 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ PDPK1 O15530 2/20 0.50
▸ PDGFRB P09619 1/20 0.50
▸ PDGFRA P16234 1/20 0.50
▸ FLT1 P17948 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ ESR1 P03372 1/20 0.50

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
SCHEMBL31419932 1.00 TGM2 (0.66) TGM2CES1EGFRMAOAMAOB
SCHEMBL5323182 0.83 CES1 (0.60) TGM2CES1EGFRMAOAMAOB
Phenol SCHEMBL672900 0.79 TGM2 (0.75) TGM2CES1MAOAMAOB
SCHEMBL136581 0.79 TGM2 (1.00) TGM2CES1MAOAMAOBCA12
SCHEMBL29505404 0.79 TGM2 (1.00) TGM2CES1MAOAMAOBCA12
SCHEMBL9094472 0.79 ACVR1 (0.64) EGFRMAOAMAOBPDPK1PDGFRB
Water SCHEMBL8100148 0.78 TGM2 (0.96) TGM2CES1MAOAMAOBCA12
Methane SCHEMBL28522344 0.78 TGM2 (0.96) TGM2CES1MAOAMAOBCA12
SCHEMBL27699846 0.77 EGFR (0.51) TGM2CES1EGFRMAOAMAOB
SCHEMBL10559920 0.77 EGFR (0.64) EGFRPDPK1PDGFRBPDGFRAFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912609-A Preparation method of natural alkaloid tryptanthrin and derivative thereof 江苏大学 2022-01-11 — — CN claimed
CN-113912609-B Preparation method of natural alkaloid tryptanthrin and derivatives thereof 江苏大学 2024-01-05 — — CN disclosed
CN-113912609-A Preparation method of natural alkaloid tryptanthrin and derivative thereof 江苏大学 2022-01-11 — — CN disclosed
US-10889590-B2 Derivatives of uncialamycin, methods of synthesis and their use as antitumor agents WILLIAM MARSH RICE UNIVERSITY (US) 2021-01-12 — — US disclosed
US-10889590-B2 Derivatives of uncialamycin, methods of synthesis and their use as antitumor agents WILLIAM MARSH RICE UNIVERSITY (US) 2021-01-12 — — US disclosed
CN-105899515-B Derivatives of uncialamycin, method of synthesis and use thereof as antitumor agents 威廉马歇莱思大学 2020-01-14 — — CN disclosed
US-10456400-B2 Aza-ellipticine analogs, methods of synthesis and methods of treatment MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2019-10-29 — — US disclosed
US-10456400-B2 Aza-ellipticine analogs, methods of synthesis and methods of treatment MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2019-10-29 — — US disclosed
US-10233192-B2 Derivatives of uncialamycin, methods of synthesis and their use as antitumor agents WILLIAM MARSH RICE UNIVERSITY (US) 2019-03-19 — — US disclosed
US-10233192-B2 Derivatives of uncialamycin, methods of synthesis and their use as antitumor agents WILLIAM MARSH RICE UNIVERSITY (US) 2019-03-19 — — US disclosed
WO-2007132280-A1 ISATIN AND ITS DERIVATIVES FOR USE AS A MEDICAMENT Szegedi Tudományegyetem (HU) 2007-11-22 — — WO disclosed
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 (5 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-10233192-B2 Derivatives of uncialamycin, methods of synthesis and their use as antitumor agents UNC119, UNC93B1, RIOX2 TGM2 949/4885CES1 2056/4885EGFR 1010/4885
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 TGM2 2342/4885CES1 2172/4885EGFR 156/4885
US-10889590-B2 Derivatives of uncialamycin, methods of synthesis and their use as antitumor agents UNC119, UNC93B1, RIOX2 TGM2 949/4885CES1 2056/4885EGFR 1010/4885
US-10456400-B2 Aza-ellipticine analogs, methods of synthesis and methods of treatment AZI2, DNMT1, TET3 TGM2 2596/4885CES1 1262/4885EGFR 1076/4885
US-20030004351-A1 Substituted oxindole derivatives as protein tyrosine kinase and as protein serine/threonine kinase inhibitors CDK2, CDK1, CCNI TGM2 2734/4885CES1 1847/4885EGFR 288/4885

“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.

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