SCHEMBL6971898

SCHEMBL6971898

NC(=S)c1c(Cl)cncc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BAZ2B Q9UIF8 2/20 0.37
CDK2 P24941 1/20 0.36
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
VCAM1 P19320 1/20 0.35
GAA P10253 1/20 0.34
ADRB2 P07550 1/20 0.33
PLAU P00749 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL1703067 0.75 ICAM1 (0.47) CYP3A4ICAM1SELEVCAM1GAA
Hydrochloric Acid SCHEMBL5010437 0.73 ICAM1 (0.46) CYP3A4ICAM1SELEVCAM1GAA
SCHEMBL17870827 0.72 CA1 (0.50) CYP3A4ALDH1A1ICAM1SELEVCAM1
Chlorthiamid SCHEMBL8541243 0.72 ALDH1A1 (0.50) ALDH1A1L3MBTL1GAAPKM
SCHEMBL2031170 0.72 ALDH1A1 (0.43) CYP3A4ALDH1A1L3MBTL1GAAPLAU
Chlorthiamid SCHEMBL54987 0.72 ALDH1A1 (0.50) ALDH1A1L3MBTL1GAAPKM
SCHEMBL4944903 0.69 POLB (0.38) CYP3A4ALDH1A1CDK2ICAM1SELE
SCHEMBL23517238 0.67 ADRB2 (0.34) CYP3A4GAAADRB2
SCHEMBL1666884 0.67 ALDH1A1 (0.54) CYP3A4ALDH1A1ICAM1SELEVCAM1
SCHEMBL111872 0.67 HCAR2 (0.46) CYP3A4ALDH1A1ICAM1SELEVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123287-B1 INSECTICIDAL 3- (SUBSTITUTED PYRIDYL) -1, 2, 4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2003-07-30 EP disclosed
US-6417187-B2 PALLADIUM CATALYZED ARYLATION, ALKYLATION, DEIODINATION OR DEBROMINATION DOW AGROSCIENCES LLC 2002-07-09 US disclosed
US-6413992-B1 3-(substituted pyridyl)-1,2,4-triazole compounds DOW AGROSCIENCES LLC 2002-07-02 US disclosed
US-20020019370-A1 Palladium catalyzed arylation, alkylation, deiodination or debromination DOW AGROSCIENCES LLC 2002-02-14 US disclosed
EP-1123287-A1 INSECTICIDAL 3- (SUBSTITUTED PYRIDYL) -1, 2, 4-TRIAZOLES Dow AgroSciences LLC (US) 2001-08-16 EP disclosed
WO-2000024735-A1 INSECTICIDAL 1-(SUBSTITUTED PYRIDYL)-1,2,4-TRIAZOLES DOW AGROSCIENCES LLC (US) 2000-05-04 WO 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-20020019370-A1 Palladium catalyzed arylation, alkylation, deiodination or debromination DDT, TYR, DDC CYP3A4 49/4885ALDH1A1 792/4885L3MBTL1 565/4885

“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.