Gavestinel

Gavestinel

SCHEMBL1721070

O=C(C=Cc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 1.00
MEN1 O00255 2/20 0.82
KMT2A Q03164 2/20 0.82
KDM4E B2RXH2 1/20 0.82
ALDH1A1 P00352 1/20 0.82
CYP3A4 P08684 1/20 0.82
MAPT P10636 1/20 0.82
HPGD P15428 1/20 0.82
ALOX15 P16050 1/20 0.82
TSHR P16473 1/20 0.82
ALOX12 P18054 1/20 0.82
HSD17B10 Q99714 1/20 0.82
CYSLTR1 Q9Y271 1/20 0.64
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
MAPK1 P28482 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
GRIN1 Q05586 1/20 0.56

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
Gavestinel SCHEMBL30184856 1.00 GPR17 (1.00) GPR17MEN1KMT2AKDM4EALDH1A1
Gavestinel SCHEMBL678632 1.00 GPR17 (1.00) GPR17MEN1KMT2AKDM4EALDH1A1
Gavestinel SCHEMBL1995817 0.99 GPR17 (0.98) GPR17MEN1KMT2AKDM4EALDH1A1
Gavestinel SCHEMBL1995813 0.99 GPR17 (0.98) GPR17MEN1KMT2AKDM4EALDH1A1
Gavestinel SCHEMBL1995818 0.99 GPR17 (0.98) GPR17MEN1KMT2AKDM4EALDH1A1
SCHEMBL8344945 0.91 GPR17 (0.84) GPR17MEN1KMT2AKDM4EALDH1A1
Gavestinel SCHEMBL9014837 0.90 KDM4E (1.00) GPR17MEN1KMT2AKDM4EALDH1A1
Gavestinel SCHEMBL1720490 0.90 KDM4E (1.00) GPR17MEN1KMT2AKDM4EALDH1A1
SCHEMBL9395908 0.88 GPR17 (0.79) GPR17MEN1KMT2AKDM4EALDH1A1
SCHEMBL9395914 0.88 GPR17 (0.79) GPR17MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2407454-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR OPTIC NERVE DISORDERS COMPRISING 4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2012-01-18 EP claimed
US-20110319463-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR OPTIC NERVE DISORDERS COMPRISING 4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AS ACTIVE INGREDIENTS Saten Pharamaceuticals Co., Ltd. (JP) 2011-12-29 US claimed
US-6020359-A INJECTABLE SOLUTION OF 3-(2-(PHENYLCARBAMOYL)ETHENYL)-4,6-DICHLOROINDOLE-2-CARBOXYLIC ACID; GLYCINE ANTAGONIST GLAXO WELLCOME SPA (IT) 2000-02-01 US claimed
US-5886018-A COMPRISING A SOLUTION OF A GLYCINE ANTAGONIST WHICH IS (E)-3-(2-(PHENYLCARBAMOYL)ETHENYL)-4,6-DICHLOROINDOLE-2-CARBOX YLIC ACID OR A PHYSIOLOGICALLY ACCEPTABLE SALT THEREOF IN AN ISOTONIC SUGAR SOLUTION CONTAINING A WATER MISCIBLE SOLVENT GLAXO WELLCOME SPA (IT) 1999-03-23 US claimed
EP-0809514-A1 PHARMACEUTICAL COMPOSITION FOR PARENTERAL APPLICATION CONTAINING AN INDOLE-CARBOXYLIC ACID GLAXO WELLCOME S.p.A. (IT) 1997-12-03 EP claimed
WO-1996024376-A1 PHARMACEUTICAL COMPOSITION FOR PARENTERAL APPLICATION CONTAINING AN INDOLE-CARBOXYLIC ACID GLAXO WELLCOME S.P.A. (IT) 1996-08-15 WO claimed
WO-2023154014-A1 NMDAR ANTAGONISTS PREVENT AGEING AND AGING-ASSOCIATED CONDITIONS AND DISEASES THROUGH INCREASING 20S PROTEASOME ACTIVITY SAHIN FIKRET (TR) 2023-08-17 WO disclosed
EP-2714029-B1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLERGAN INC (US) 2017-04-12 EP disclosed
US-8741955-B2 D-serine transporter inhibitors as pharmaceutical compositions for the treatment of central nervous system disorders ALLERGAN, INC. (US) 2014-06-03 US disclosed
US-8735451-B2 D-serine transporter inhibitors as pharmaceutical compositions for the treatment of visual system disorders ALLERGAN, INC. (US) 2014-05-27 US disclosed
WO-2012166533-A1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VISUAL SYSTEM DISORDERS ALLERGAN, INC. (US) 2012-12-06 WO disclosed
WO-2012166544-A1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLERGAN, INC. (US) 2012-12-06 WO disclosed
EP-2407454-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR OPTIC NERVE DISORDERS COMPRISING 4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT Santen Pharmaceutical Co., Ltd (JP) 2012-01-18 EP disclosed
US-5886018-A COMPRISING A SOLUTION OF A GLYCINE ANTAGONIST WHICH IS (E)-3-(2-(PHENYLCARBAMOYL)ETHENYL)-4,6-DICHLOROINDOLE-2-CARBOX YLIC ACID OR A PHYSIOLOGICALLY ACCEPTABLE SALT THEREOF IN AN ISOTONIC SUGAR SOLUTION CONTAINING A WATER MISCIBLE SOLVENT GLAXO WELLCOME SPA (IT) 1999-03-23 US disclosed
US-5886018-A COMPRISING A SOLUTION OF A GLYCINE ANTAGONIST WHICH IS (E)-3-(2-(PHENYLCARBAMOYL)ETHENYL)-4,6-DICHLOROINDOLE-2-CARBOX YLIC ACID OR A PHYSIOLOGICALLY ACCEPTABLE SALT THEREOF IN AN ISOTONIC SUGAR SOLUTION CONTAINING A WATER MISCIBLE SOLVENT GLAXO WELLCOME SPA (IT) 1999-03-23 US disclosed
EP-0809514-A1 PHARMACEUTICAL COMPOSITION FOR PARENTERAL APPLICATION CONTAINING AN INDOLE-CARBOXYLIC ACID GLAXO WELLCOME S.p.A. (IT) 1997-12-03 EP disclosed
WO-1996024376-A1 PHARMACEUTICAL COMPOSITION FOR PARENTERAL APPLICATION CONTAINING AN INDOLE-CARBOXYLIC ACID GLAXO WELLCOME S.P.A. (IT) 1996-08-15 WO disclosed
US-5510367-A TREATMENT OR PREVENTION OF NEUROTOXIC INJURIES SUCH AS CEREBRAL STROKE, HEMMORHAGIC STROKE, CEREBRAL ISCHEMIA, VASOSPASM, HYPOGLYCEMIA, ANAESIA, HYPOXIA, ASHYXIA, CARDIAC ARREST AND NEURODEGENERATIVE DISEASES GLAXO SPA (IT) 1996-04-23 US disclosed
US-5373018-A Antagonist to excitory amino acids on N-methyl aspartic acid receptor complex, theraputically effective in treatment of central nervous system disorder GLAXO S.P.A. (IT) 1994-12-13 US disclosed
EP-0568136-A1 Indole-2-carboxylic acid derivatives GLAXO S.p.A. (IT) 1993-11-03 EP 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 (1 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-20110319463-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR OPTIC NERVE DISORDERS COMPRISING 4,6-DICHLORO-1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AS ACTIVE INGREDIENTS ALDH1A2, NEFM, QDPR GPR17 3295/4885MEN1 2599/4885KMT2A 2887/4885

“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.