Sugi Predict

Sugi Predict / Compounds / SCHEMBL505703

SCHEMBL505703

SCHEMBL505703

O=C1Nc2c(I)cccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 7/20 0.60
▸ DAO P14920 2/20 0.60
▸ NSD2 O96028 1/20 0.60
▸ BCHE P06276 1/20 0.60
▸ LIG1 P18858 1/20 0.55
▸ CASP3 P42574 1/20 0.48
▸ CASP2 P42575 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ CASP8 Q14790 1/20 0.48
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TGM2 P21980 2/20 0.41
▸ PDE7A Q13946 1/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ TDP2 O95551 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ DNMT1 P26358 1/20 0.37
▸ POLB P06746 1/20 0.36

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
SCHEMBL29440762 0.75 CES1 (0.60) CES1DAONSD2BCHELIG1
SCHEMBL5332282 0.75 CES1 (0.60) CES1DAONSD2BCHELIG1
SCHEMBL29417367 0.75 CES1 (1.00) CES1DAONSD2BCHELIG1
SCHEMBL31244367 0.75 CES1 (0.60) CES1DAONSD2BCHELIG1
SCHEMBL29836255 0.75 CES1 (0.60) CES1DAONSD2BCHELIG1
SCHEMBL1247382 0.75 CES1 (1.00) CES1DAONSD2BCHELIG1
SCHEMBL3088689 0.75 DAO (1.00) CES1DAONSD2BCHELIG1
SCHEMBL6845708 0.75 CES1 (0.60) CES1DAONSD2BCHELIG1
SCHEMBL281604 0.75 CES1 (0.60) CES1DAONSD2BCHELIG1
SCHEMBL29506270 0.75 CES1 (0.60) CES1DAONSD2BCHELIG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574426-A Diamine monomer containing isoindigo structure and black polyimide synthesized from diamine monomer 湘潭大学 2020-08-25 — — CN claimed
CN-102690226-A Multi-nitrogen substituted isatin derivative and synthetic method of multi-nitrogen substituted isatin derivative UNIV GUANGDONG TECHNOLOGY 2012-09-26 — — CN claimed
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 — — WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 — — WO disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 — — US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 — — US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 — — US disclosed
US-8933248-B2 3-substituted-3-hydroxy oxindole derivatives and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-01-13 — — US disclosed
US-20130345438-A1 3-SUBSTITUTED-3-HYDROXY OXINDOLE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-12-26 — — US disclosed
CN-102626408-B Application of isatin thiosemicarbazone compound in inhibition of NDM-1 activity TIANJIN INT JOINT ACADEMY BIOTECHNOLOGY & MEDICINE 2013-10-16 — — CN disclosed
US-8552053-B2 7-substituted indirubin-3′oximes and their applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-10-08 — — US disclosed
EP-1963264-A2 NEW 3 -, 7-SUBSTITUTED INDIRUBINS AND THEIR APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-09-03 — — EP disclosed
WO-2007132280-A1 ISATIN AND ITS DERIVATIVES FOR USE AS A MEDICAMENT Szegedi Tudományegyetem (HU) 2007-11-22 — — WO disclosed
WO-2007099402-A2 NEW 3’-, 7-SUBSTITUTED INDIRUBINS AND THEIR APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-09-07 — — WO disclosed
CN-1902179-A Methods and compositions for selectin inhibition WYETH CORP (US) 2007-01-24 — — CN disclosed
EP-1682511-A2 METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION Wyeth (US) 2006-07-26 — — EP disclosed
WO-2005047257-A2 METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION WYETH (US) 2005-05-26 — — WO disclosed
US-20050101568-A1 Methods and compositions for selectin inhibition WYETH (US) 2005-05-12 — — US disclosed
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 — — US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 — — 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 (3 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-20130345438-A1 3-SUBSTITUTED-3-HYDROXY OXINDOLE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF NOS3, NOS2, HTR3C CES1 2193/4885DAO 520/4885NSD2 177/4885
US-20050101568-A1 Methods and compositions for selectin inhibition SELP, SELE, SELL CES1 707/4885DAO 1610/4885NSD2 4259/4885
US-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 CES1 1914/4885DAO 470/4885NSD2 5/4885

“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.