SCHEMBL4395547

SCHEMBL4395547

NC(=O)CNc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.46
PDE10A Q9Y233 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 2/20 0.45

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
SCHEMBL159434 0.81 FFAR1 (0.54) NPC1CA12CA1CA2CA7
SCHEMBL3995569 0.81 ESR1 (0.55) NPC1CA12CA1CA2ALDH1A1
SCHEMBL3659518 0.81 PEPD (0.54) CA12CA1CA2CA7ALDH1A1
Hydrochloric Acid SCHEMBL11718612 0.81 FFAR1 (0.54) NPC1CA12CA1CA2CA7
SCHEMBL11647073 0.81 CA1 (0.41) NPC1CA12CA1CA2ALDH1A1
SCHEMBL2319538 0.80 CA12 (0.52) NPC1CA12CA1CA2CA7
SCHEMBL28847226 0.79 FFAR1 (0.53) NPC1CA12CA1CA2CA7
SCHEMBL10538012 0.79 FFAR1 (0.53) NPC1CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL4804173 0.79 ESR1 (0.54) CA12CA1CA2MAPTGAA
SCHEMBL8154250 0.79 NPC1 (0.45) NPC1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
CN-109641844-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2019-04-16 CN 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
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO disclosed
US-6949658-B2 Process for producing optically active α-amino acid and optically active α-amino acid amide MITSUBISHI RAYON CO., LTD. (JP) 2005-09-27 US disclosed
US-20030171597-A1 Process for producing optically active alpha-amino acid and optically active alpha-amino acid amine MITSUBISHI RAYON CO., LTD. (JP) 2003-09-11 US disclosed
EP-1300392-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALPHA-AMINO ACID AND OPTICALLY ACTIVE ALPHA-AMINO ACID AMIDE Mitsubishi Rayon Co., Ltd. (JP) 2003-04-09 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 (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-20030171597-A1 Process for producing optically active alpha-amino acid and optically active alpha-amino acid amine AADAT, BCAT1, BCAT2 NPC1 4605/4885CA12 760/4885CA1 124/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 NPC1 2242/4885CA12 4196/4885CA1 4150/4885

“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.