SCHEMBL5782452

SCHEMBL5782452

COc1ccc(-c2csc(Cn3ncc(N)c3N)n2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.53
CYP1B1 Q16678 6/20 0.53
MAPT P10636 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ATM Q13315 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
C1S P09871 1/20 0.42
CYP2E1 P05181 1/20 0.42

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
Hydrochloric Acid SCHEMBL5780649 0.99 CYP1A1 (0.52) CYP1A1CYP1B1MAPTNPC1RAB9A
SCHEMBL5783174 0.83 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5782004 0.82 MAPT (0.52) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5783814 0.76 AR (0.42) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2097189 0.75 CYP1A1 (0.68) CYP1A1CYP1B1MAPTNPC1RAB9A
SCHEMBL15477792 0.75 CYP1A1 (0.68) CYP1A1CYP1B1MAPTNPC1RAB9A
SCHEMBL30557661 0.75 CYP1A1 (0.75) CYP1A1CYP1B1MAPTNPC1RAB9A
SCHEMBL1821573 0.75 CYP1A1 (0.75) CYP1A1CYP1B1MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL5782911 0.75 AR (0.41) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2097185 0.73 CYP1A1 (0.64) CYP1A1CYP1B1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636219-B1 NOVEL THIAZOLYLMETHYL PYRAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF IN DYES FOR KERATIN FIBERS WELLA AG (DE) 2006-11-02 EP claimed
US-20060183781-A1 Novel thiazolylmethyl pyrazoles, method for the production thereof, and use thereof in dyes for keratin fibers WELLA AG (DE) 2006-08-17 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-20060183781-A1 Novel thiazolylmethyl pyrazoles, method for the production thereof, and use thereof in dyes for keratin fibers KRT18, CBR3, CDC73 CYP1A1 123/4885CYP1B1 140/4885MAPT 1787/4885

“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.