SCHEMBL6775984

SCHEMBL6775984

Nc1ccc2snc(-c3sccc3Cl)c2c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
PGR P06401 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DYRK1A Q13627 1/20 0.30
GFER P55789 1/20 0.30
EPAS1 Q99814 1/20 0.30

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
SCHEMBL2973155 0.72 MAPT (0.39) CYP3A4TSHRKDM4ENPC1RAB9A
SCHEMBL31165729 0.69 GRM4 (0.41) CYP3A4TSHRKDM4ENPC1RAB9A
SCHEMBL855507 0.69 GRM4 (0.41) CYP3A4TSHRKDM4ENPC1RAB9A
SCHEMBL11704181 0.68 MAPT (0.57) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6772566 0.67 ALDH1A1 (0.33) KDM4ENPC1MAPTALDH1A1HSD17B10
SCHEMBL6875840 0.66 CYP3A4 (0.39) CASP3CYP3A4TSHRPGRKDM4E
SCHEMBL7800830 0.66 CYP3A4 (0.39) CASP3CYP3A4TSHRPGRKDM4E
SCHEMBL6772176 0.65 EPAS1 (0.32) EPAS1
Hydrochloric Acid SCHEMBL7807393 0.65 CYP3A4 (0.38) CASP3CYP3A4TSHRPGRKDM4E
SCHEMBL5704963 0.65 CA1 (0.47) CASP3CYP3A4TSHRPGRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706663-B2 CHEMICAL INTERMEDIATES WYETH 2004-03-16 US disclosed
EP-1274708-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-01-15 EP disclosed
US-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds INTELLECTUAL PROPERTY DEPARTMENT BASF AKTIENGESELLSCHAFT (DE) 2002-03-07 US disclosed
WO-2001079203-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 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-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds CYP4X1, HAX1, DDT CASP3 27/4885CYP3A4 74/4885TSHR 1747/4885

“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.