SCHEMBL4397986

SCHEMBL4397986

NC(=O)CNC(=S)Nc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.74
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
ALDH1A1 P00352 7/20 0.55
TAS2R38 P59533 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP3A4 P08684 1/20 0.55
KMT2A Q03164 3/20 0.54
GAA P10253 6/20 0.53
LMNA P02545 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MEN1 O00255 1/20 0.52
NOX1 Q9Y5S8 1/20 0.52
TP53 P04637 1/20 0.52
TYR P14679 1/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL11517574 0.85 ABAT (1.00) ABATMAOAMAOBALDH1A1TAS2R38
SCHEMBL28285848 0.84 ABAT (0.96) ABATMAOAMAOBALDH1A1TAS2R38
SCHEMBL8720523 0.83 IDO1 (0.56) ABATMAOBALDH1A1KMT2AGAA
SCHEMBL15224204 0.83 KMT2A (0.60) ABATMAOAMAOBALDH1A1TAS2R38
SCHEMBL4406535 0.81 EPHX1 (0.59) MAOAMAOBALDH1A1KMT2ANPC1
SCHEMBL20335009 0.79 ABAT (0.87) ABATMAOAMAOBALDH1A1TAS2R38
SCHEMBL27812099 0.77 ALDH1A1 (0.64) ABATMAOAMAOBALDH1A1TAS2R38
SCHEMBL8721078 0.77 MEN1 (0.66) ALDH1A1KMT2AGAALMNANPC1
SCHEMBL8721047 0.77 L3MBTL1 (0.60) ALDH1A1LMNANPC1RAB9AKDM4E
SCHEMBL8956279 0.77 KMT2A (0.78) ABATMAOAMAOBALDH1A1TAS2R38

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 10 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-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-5877324-A ANTICHOLESTEROL AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1999-03-02 US disclosed
EP-0876354-A1 2-(SUBSTITUTED SULFANYL)-3,5-DIHYDRO-IMIDAZOL-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-11-11 EP disclosed
WO-1997019931-A1 2-(SUBSTITUTED SULFANYL)-3,5-DIHYDRO-IMIDAZOL-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-06-05 WO disclosed
US-5599829-A FOR INCREASED HIGH DENSITY LIPOPROTEIN LEVELS IN BLOOD AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-04 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 (1 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-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 ABAT 462/4885MAOA 2376/4885MAOB 2969/4885

“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.