SCHEMBL3728878

SCHEMBL3728878

NC(CC(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
MAPK9 P45984 1/20 0.55
ITGB3 P05106 4/20 0.47
ITGA2B P08514 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
EDNRA P25101 1/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 2/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A4 P31645 1/20 0.45
ITGAV P06756 1/20 0.45
MEN1 O00255 1/20 0.45
MME P08473 1/20 0.44
CYP2D6 P10635 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL4673967 1.00 KMT2A (0.59) KMT2AMAPK9ITGB3ITGA2BALDH1A1
SCHEMBL31295300 1.00 KMT2A (0.59) KMT2AMAPK9ITGB3ITGA2BALDH1A1
SCHEMBL5150990 1.00 KMT2A (0.59) KMT2AMAPK9ITGB3ITGA2BALDH1A1
Hydrochloric Acid SCHEMBL7976302 0.98 KMT2A (0.58) KMT2AMAPK9ITGB3ITGA2BALDH1A1
Hydrochloric Acid SCHEMBL6755379 0.98 KMT2A (0.58) KMT2AMAPK9ITGB3ITGA2BALDH1A1
Hydrochloric Acid SCHEMBL5148928 0.98 KMT2A (0.58) KMT2AMAPK9ITGB3ITGA2BALDH1A1
SCHEMBL7100421 0.91 PTGS1 (0.56) KMT2AMAPK9ALDH1A1MAPK1CYP1A2
SCHEMBL4179129 0.91 PTGS1 (0.56) KMT2AMAPK9ALDH1A1MAPK1CYP1A2
Leucine SCHEMBL27542716 0.87 KMT2A (0.51) KMT2AMAPK9ALDH1A1CYP1A2CYP2C19
SCHEMBL20545862 0.85 CTSA (0.53) KMT2AMAPK9PTGS2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US claimed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 US claimed
EP-3480187-B1 METHOD FOR PREPARING INDENOISOQUINOLINE DERIVATIVES UNIV NAT TAIWAN NORMAL (TW) 2023-10-04 EP disclosed
US-10336704-B2 Method for preparing indenoisoquinoline derivatives NATIONAL TAIWAN NORMAL UNIVERSITY (TW) 2019-07-02 US disclosed
US-20190127330-A1 Method for Preparing Indenoisoquinoline Derivatives NATIONAL TAIWAN NORMAL UNIVERSITY (TW) 2019-05-02 US disclosed
CN-109134481-A A kind of substituted azole chromogen ketone compounds or its pharmaceutically acceptable salt and its preparation method and application 中山大学 2019-01-04 CN disclosed
US-20130245283-A1 THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS ALLERGAN, INC. (US) 2013-09-19 US disclosed
US-20100280250-A1 THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS ALLERGAN, INC. 2010-11-04 US disclosed
CN-101454281-A Prostaglandin ep4 agonists ALLERGAN INC (US) 2009-06-10 CN disclosed
EP-2027085-A1 PROSTAGLANDIN EP4 AGONISTS Allergan, Inc. (US) 2009-02-25 EP disclosed
WO-2007115001-A1 PROSTAGLANDIN EP4 AGONISTS ALLERGAN, INC. (US) 2007-10-11 WO disclosed
US-6521654-B2 For therapy and prophylaxis of rheumatoid arthritis, or of allergic disorders, asthma, inflammation; inhibitors of the adhesion and migration of leucocytes and/or antagonists of adhesion receptor VLA-4 belonging to the integrins group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-02-18 US disclosed
US-20020143043-A1 Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations including them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-10-03 US disclosed
US-6331552-B1 THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISORDERS, FOR EXAMPLE OF RHEUMATOID ARTHRITIS, OR OF ALLERGIC DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-18 US disclosed
EP-1098878-A1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS LABORATOIRE L. LAFON (FR) 2001-05-16 EP disclosed
EP-1098888-A1 PIPERAZINONE DERIVATIVES AND THEIR USES LABORATOIRE L. LAFON (FR) 2001-05-16 EP disclosed
US-6096773-A INHIBITOR OF BINDING OF INTEGRIN TO ITS RECEPTORS, SUCH AS (VASCULAR CELL ADHESION MOLECULE-1) AND FIBRONECTIN AND USEFUL FOR CONTROLLING THE DISEASES INDUCED BY BINDING TEXAS BIOTECHNOLOGY CORPORATION, INC. (US) 2000-08-01 US disclosed
WO-2000003986-A1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed
WO-2000004000-A1 PIPERAZINONE DERIVATIVES AND THEIR USES LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed
EP-0918059-A1 Substituted imidazoline derivatives, their preparation, their use, and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-26 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 (7 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-20020143043-A1 Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations including them VCAM1, ITGA1, ITGA4 KMT2A 1038/4885MAPK9 607/4885ITGB3 10/4885
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 KMT2A 1196/4885MAPK9 3825/4885ITGB3 4336/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 KMT2A 1592/4885MAPK9 3670/4885ITGB3 3768/4885
US-20130245283-A1 THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS PTGER4, PTGER1, PTGER3 KMT2A 3669/4885MAPK9 3814/4885ITGB3 1771/4885
US-10336704-B2 Method for preparing indenoisoquinoline derivatives CYP1A2, RECQL, RDX KMT2A 477/4885MAPK9 2694/4885ITGB3 3584/4885
US-20190127330-A1 Method for Preparing Indenoisoquinoline Derivatives CYP1A2, RECQL, RDX KMT2A 477/4885MAPK9 2694/4885ITGB3 3584/4885
US-20100280250-A1 THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS PTGER4, PTGER1, PTGER3 KMT2A 3669/4885MAPK9 3814/4885ITGB3 1771/4885

“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.