SCHEMBL4397993

SCHEMBL4397993

NCCNC(=S)Nc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.68
RAB9A P51151 4/20 0.66
MAOA P21397 2/20 0.66
MAOB P27338 2/20 0.66
NPC1 O15118 2/20 0.66
LMNA P02545 5/20 0.64
ALDH1A1 P00352 4/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
GAA P10253 5/20 0.60
MAPT P10636 3/20 0.60
ALOX12 P18054 1/20 0.60
CYP3A4 P08684 1/20 0.59
TAS2R38 P59533 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MEN1 O00255 4/20 0.58
MAPK1 P28482 1/20 0.58
ABAT P80404 1/20 0.58
NOX1 Q9Y5S8 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54

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
Hydrochloric Acid SCHEMBL322544 0.98 KMT2A (0.66) KMT2ARAB9AMAOAMAOBNPC1
SCHEMBL15224205 0.89 KMT2A (0.68) KMT2ARAB9AMAOAMAOBNPC1
SCHEMBL8956279 0.88 KMT2A (0.78) KMT2ARAB9AMAOAMAOBNPC1
SCHEMBL3013357 0.86 KMT2A (0.64) KMT2ARAB9AMAOAMAOBNPC1
SCHEMBL27812099 0.84 ALDH1A1 (0.64) KMT2ARAB9AMAOAMAOBNPC1
SCHEMBL5138189 0.82 KMT2A (0.73) KMT2ARAB9AMAOAMAOBNPC1
SCHEMBL20109299 0.81 KMT2A (0.68) KMT2ARAB9AMAOAMAOBNPC1
SCHEMBL5458013 0.81 KMT2A (1.00) KMT2ARAB9AMAOAMAOBNPC1
SCHEMBL1520437 0.79 RAB9A (1.00) KMT2ARAB9AMAOAMAOBNPC1
SCHEMBL18243810 0.79 KMT2A (0.71) KMT2ARAB9AMAOAMAOBNPC1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947868-A Novel reactive fluorescent probe capable of specifically recognizing mercury ions, preparation method thereof and application of novel reactive fluorescent probe in detection of mercury ions 辽宁大学 2023-10-27 CN claimed
CN-108204951-A A kind of photoacoustic imaging probe and its preparation method and application 深圳大学 2018-06-26 CN claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
CN-116947868-B Novel reactive fluorescent probe capable of specifically recognizing mercury ions, preparation method thereof and application of novel reactive fluorescent probe in detection of mercury ions 辽宁大学 2025-08-19 CN disclosed
CN-116947868-A Novel reactive fluorescent probe capable of specifically recognizing mercury ions, preparation method thereof and application of novel reactive fluorescent probe in detection of mercury ions 辽宁大学 2023-10-27 CN disclosed
CN-116947868-A Novel reactive fluorescent probe capable of specifically recognizing mercury ions, preparation method thereof and application of novel reactive fluorescent probe in detection of mercury ions 辽宁大学 2023-10-27 CN disclosed
CN-108204951-A A kind of photoacoustic imaging probe and its preparation method and application 深圳大学 2018-06-26 CN disclosed
US-8653259-B2 Process for synthesizing heterocyclic compounds SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-02-18 US disclosed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
US-20080146797-A1 PROCESS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-06-19 US disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO disclosed
CN-1795178-A Process for synthesizing heterocyclic compounds SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-28 CN disclosed
US-20040242560-A1 Process for synthesizing heterocyclic compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-02 US disclosed
US-4810725-A ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1989-03-07 US disclosed
US-4593039-A Beta blockers; cardiovascular disorders MERCK & CO., INC. (US) 1986-06-03 US disclosed
US-3931216-A Process for the manufacture of 2-arylamino-2-imidazoline derivatives and their salts BOEHRINGER INGELHEIM GMBH (DT) 1976-01-06 US 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-20080146797-A1 PROCESS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS TST, NISCH, CLIC4 KMT2A 1586/4885RAB9A 2630/4885MAOA 2548/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 KMT2A 4661/4885RAB9A 2013/4885MAOA 2376/4885
US-20040242560-A1 Process for synthesizing heterocyclic compounds TST, NISCH, CLIC4 KMT2A 1781/4885RAB9A 2415/4885MAOA 2446/4885

“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.