SCHEMBL113378

SCHEMBL113378

O=C(O)c1ccc2cnccc2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.55
MRGPRX4 Q96LA9 1/20 0.52
IMPDH2 P12268 2/20 0.51
CYP3A4 P08684 5/20 0.51
KDM4E B2RXH2 1/20 0.50
HIPK2 Q9H2X6 1/20 0.49
NAPRT Q6XQN6 1/20 0.48
TBXAS1 P24557 1/20 0.48
ALDH1A1 P00352 1/20 0.47
APP P05067 1/20 0.47
GAA P10253 1/20 0.47
HCAR3 P49019 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
KMO O15229 1/20 0.46
AKT1 P31749 1/20 0.46
AR P10275 1/20 0.46

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
SCHEMBL29489099 1.00 SMYD3 (0.55) SMYD3MRGPRX4IMPDH2CYP3A4KDM4E
Hydrochloric Acid SCHEMBL7557776 0.98 SMYD3 (0.54) SMYD3MRGPRX4IMPDH2CYP3A4KDM4E
SCHEMBL29488886 0.92 MRGPRX4 (0.56) SMYD3MRGPRX4CYP3A4KDM4EHIPK2
SCHEMBL1403704 0.92 MRGPRX4 (0.56) SMYD3MRGPRX4CYP3A4KDM4EHIPK2
SCHEMBL6984075 0.91 MRGPRX4 (0.55) SMYD3MRGPRX4IMPDH2CYP3A4KDM4E
Hydrochloric Acid SCHEMBL29816771 0.91 MRGPRX4 (0.55) SMYD3MRGPRX4IMPDH2CYP3A4KDM4E
Potassium SCHEMBL6984080 0.91 MRGPRX4 (0.55) SMYD3MRGPRX4IMPDH2CYP3A4KDM4E
SCHEMBL9100347 0.90 IMPDH2 (0.54) SMYD3MRGPRX4IMPDH2CYP3A4KDM4E
Imidazole SCHEMBL25324701 0.86 SMYD3 (0.45) SMYD3MRGPRX4IMPDH2CYP3A4KDM4E
SCHEMBL27867058 0.84 MRGPRX4 (0.50) SMYD3MRGPRX4IMPDH2CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4065117-B1 ISOQUINOLINE DERIVATIVES FOR USE IN TREATING GLUT1 DEFICIENCY SYNDROME GLIAPHARM SA (CH) 2024-06-19 EP claimed
CN-117286192-B Use of amide synthetases in the preparation of litaxetil intermediates and/or litaxetil 欣雅利华生物技术(上海)有限公司 2024-02-23 CN claimed
CN-117286192-A Use of amide synthetases in the preparation of litaxetil intermediates and/or litaxetil 欣雅利华生物技术(上海)有限公司 2023-12-26 CN claimed
US-20230374566-A1 METHODS OF IDENTIFYING PROTEIN BINDING SITES ON RNA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-23 US claimed
EP-4217364-A1 METHODS OF IDENTIFYING PROTEIN BINDING SITES ON RNA The Regents of the University of California (US) 2023-08-02 EP claimed
WO-2022067036-A1 METHODS OF IDENTIFYING PROTEIN BINDING SITES ON RNA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-03-31 WO claimed
CN-111995575-A Preparation method of quinoline amide compound 河南农业大学 2020-11-27 CN claimed
CN-106831575-B A kind of preparation method of 1- aminoisoquinoline -6- methanol 北京六合宁远科技有限公司 2019-04-16 CN claimed
CN-107820496-A For treating and preventing the hepatitis b virus infected new formic acid derivates of 4 oxo pyridine of Fourth Ring 3 豪夫迈·罗氏有限公司 2018-03-20 CN claimed
CN-106831575-A A kind of preparation method of the methyl alcohol of 1 aminoisoquinoline 6 北京六合宁远科技有限公司 2017-06-13 CN claimed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP claimed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 US claimed
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO claimed
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP claimed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO claimed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
EP-3856178-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-03-11 EP disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
EP-0707656-B1 BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS BASF AG (DE) 1998-09-02 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 SMYD3 3862/4885MRGPRX4 29/4885IMPDH2 2109/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH SMYD3 2472/4885MRGPRX4 453/4885IMPDH2 2064/4885

“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.