SCHEMBL87424

SCHEMBL87424

NC(=O)CNCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.65
SPHK1 Q9NYA1 1/20 0.65
SCN3A Q9NY46 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
DPP7 Q9UHL4 1/20 0.47
ANPEP P15144 1/20 0.47
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47

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 SCHEMBL8520812 0.98 SPHK2 (0.63) SPHK2SPHK1SCN3AMEN1KMT2A
Trifluoroacetic Acid SCHEMBL7760565 0.89 SPHK2 (0.56) SPHK2SPHK1SCN3AALDH1A1DPP7
SCHEMBL8843444 0.89 SPHK2 (0.58) SPHK2SPHK1SCN3AMEN1KMT2A
Carbamic Acid SCHEMBL15635796 0.85 HDAC8 (0.60) MEN1KMT2ATDP1HDAC8HDAC6
SCHEMBL7391510 0.84 SPHK2 (0.82) SPHK2SPHK1SCN3A
SCHEMBL9334106 0.83 GAA (0.56) SPHK2SPHK1MEN1KMT2AALDH1A1
SCHEMBL156664 0.83 MEN1 (0.56) MEN1KMT2ATDP1HDAC8HDAC6
SCHEMBL5181873 0.83 THRB (0.56) SPHK2SPHK1MEN1KMT2ATDP1
SCHEMBL11273783 0.82 CA2 (0.55) SPHK2SPHK1SCN3A
Ammonia Solution, Strong SCHEMBL27486735 0.81 MEN1 (0.54) MEN1KMT2ATDP1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3535310-B1 ACROLEIN SCAVENGING IN PTF AND OTHER 1,3-PROPANEDIOL DERIVED POLYMERS COCA COLA CO (US) 2025-12-24 EP claimed
US-11708454-B2 Acrolein scavenging in PTF and other 1,3-propanediol derived polymers THE COCA-COLA COMPANY (US) 2023-07-25 US claimed
US-20190330420-A1 ACROLEIN SCAVENGING IN PTF AND OTHER 1,3-PROPANEDIOL DERIVED POLYMERS THE COCA-COLA COMPANY (US) 2019-10-31 US claimed
EP-3535310-A1 ACROLEIN SCAVENGING IN PTF AND OTHER 1,3-PROPANEDIOL DERIVED POLYMERS The Coca-Cola Company (US) 2019-09-11 EP claimed
CN-109996830-A Acrolein scavenger in PTF and other 1, 3-propanediol derived polymers 可口可乐公司 2019-07-09 CN claimed
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP claimed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US claimed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US claimed
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP claimed
CN-101497613-A Preparation of praziquanamine FUYANG GENEBEST CHEMICAL INDUS (CN) 2009-08-05 CN claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO claimed
EP-1606283-B1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-10-08 EP claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2008100727-A2 HIGH-DOSE GLYCINE AS A TREATMENT FOR OBSESSIVE-COMPULSIVE DISORDER AND OBSESSIVE-COMPULSIVE SPECTRUM DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-08-21 WO claimed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 US claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
US-7135575-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2006-11-14 US claimed
EP-0230151-A2 Cholecystokinin antagonists BIOMEASURE, INC. (US) 1987-07-29 EP claimed

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-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC SPHK2 1595/4885SPHK1 2212/4885SCN3A 3888/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS SPHK2 124/4885SPHK1 144/4885SCN3A 2698/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 SPHK2 3568/4885SPHK1 3676/4885SCN3A 1414/4885

“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.