SCHEMBL2582662

SCHEMBL2582662

O=C(S)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.64
TP53 P04637 1/20 0.64
EPHX1 P07099 1/20 0.64
TSHR P16473 1/20 0.64
CDK9 P50750 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
HSD17B10 Q99714 2/20 0.58
NAPRT Q6XQN6 1/20 0.58
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
TGM2 P21980 1/20 0.52
TAAR1 Q96RJ0 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50

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
SCHEMBL21316586 0.81 HPGD (0.66) TP53EPHX1SMN1; SMN2TGM2ALDH1A1
SCHEMBL3073181 0.80 EPHX1 (0.52) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL11018412 0.78 TP53 (0.56) EPHX2TP53EPHX1TSHRCDK9
Benzene SCHEMBL28162617 0.78 EPHX2 (0.70) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL57554 0.78 SMN1; SMN2 (0.70) EPHX2TP53EPHX1TSHRCDK9
Diphenylurea SCHEMBL133103 0.78 SMN1; SMN2 (1.00) EPHX2TP53EPHX1TSHRCDK9
Benzene SCHEMBL28977956 0.78 SMN1; SMN2 (0.70) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL7634 0.78 EPHX2 (0.70) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL11306562 0.77 EPHX2 (0.54) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL11353365 0.76 EPHX2 (0.67) EPHX2TP53EPHX1TSHRCDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920242-A Preparation method of high-capacity graphite composite material 格龙新材料科技(常州)有限公司 2022-08-19 CN claimed
US-20220120735-A1 Testing Methods for Determination of T2R Phenotype and Applications Thereof Phenomune, LLC 2022-04-21 US claimed
WO-2022081729-A1 TESTING METHODS FOR DETERMINATION OF T2R PHENOTYPE AND APPLICATIONS THEREOF Phenomune, LLC (US) 2022-04-21 WO claimed
CN-110849990-A Method for detecting veterinary drug residues in animal-derived food and application thereof 中国肉类食品综合研究中心 2020-02-28 CN claimed
US-20080194693-A1 Aminoacetonitrile Derivatives and Their Use for Controlling Parasites on Warm-Blooded Animals NOVARTIS AG (CH) 2008-08-14 US claimed
EP-1758849-A1 AMINOACETONITRILE DERIVATIVES AND THEIR USE FOR CONTROLLING PARASITES ON WARM-BLOODED ANIMALS Novartis AG (CH) 2007-03-07 EP claimed
WO-2005121075-A1 AMINOACETONITRILE DERIVATIVES AND THEIR USE FOR CONTROLLING PARASITES ON WARM-BLOODED ANIMALS NOVARTIS AG (CH) 2005-12-22 WO claimed
US-20030050248-A1 Novel amino acid and peptide inhibitors of Staphylococcus virulence PANORAMA RESEARCH, INC. 2003-03-13 US claimed
EP-1261362-A2 NOVEL AMINO ACID AND PEPTIDE INHIBITORS OF STAPHYLOCOCCUS VIRULENCE Intermune, Inc. (US) 2002-12-04 EP claimed
WO-2001058471-A2 NOVEL AMINO ACID AND PEPTIDE INHIBITORS OF STAPHYLOCOCCUS VIRULENCE INTERMUNE, INC. (US) 2001-08-16 WO claimed
EP-0314505-B1 Herbicidal pyridine sulfonylureas DU PONT (US) 1994-02-16 EP claimed
EP-0271208-B1 HERBICIDAL PYRIDINE N-OXIDE SULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-04-21 EP claimed
EP-0192489-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-10 EP claimed
EP-0192489-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-27 EP claimed
EP-0165003-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-12-18 EP claimed
US-4105838-A LAYERS OF METAL COMPLEX WITH ORGANIC COMPOUND OR DYE ON REACTION VESSEL SURFACES, ANTISCALING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1978-08-08 US claimed
JP-61161201-A None JP disclosed
JP-56115704-A None JP disclosed
US-4055657-A S-ARYL-N-ALKYL-THIOLCARBAMATES PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed
US-4028394-A Antibacterial and fungicidal S-phenylthiocarbamates R. T. VANDERBILT COMPANY, INC. (US) 1977-06-07 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-20080194693-A1 Aminoacetonitrile Derivatives and Their Use for Controlling Parasites on Warm-Blooded Animals MB, ACHE, ADORA2B EPHX2 1208/4885TP53 3970/4885EPHX1 671/4885

“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.