SCHEMBL6743377

SCHEMBL6743377

Cc1c(O)c2ccccc2c2nc(N)sc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
TLR8 Q9NR97 5/20 0.42
TLR7 Q9NYK1 5/20 0.42
PDPK1 O15530 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LIMK1 P53667 1/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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 SCHEMBL6075317 0.98 HTT (0.50) HTTPTGS1PTGS2TLR8TLR7
SCHEMBL10650771 0.81 SMN1; SMN2 (0.46) HTTPTGS1PTGS2TLR8TLR7
SCHEMBL10654233 0.81 PDPK1 (0.40) HTTPTGS1PTGS2TLR8TLR7
Hydrochloric Acid SCHEMBL6074699 0.78 PTGS1 (0.57) PTGS1PTGS2TLR8TLR7SMN1; SMN2
SCHEMBL10334317 0.77 HTT (0.58) HTTPDPK1ALDH1A1SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL6079172 0.77 TLR8 (0.44) HTTPTGS1PTGS2TLR8TLR7
Hydrochloric Acid SCHEMBL10654208 0.75 HTT (0.56) HTTPDPK1ALDH1A1SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL6074710 0.75 PTGS1 (0.63) PTGS1PTGS2TLR8TLR7ALDH1A1
SCHEMBL6746578 0.72 PTGS1 (0.60) HTTPTGS1PTGS2ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL6075219 0.71 PTGS1 (0.58) HTTPTGS1PTGS2ALDH1A1HSD17B10

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
US-6689777-B2 DEPOLYMERIZING HEMOZOIN USING 2-IMINO-NAPHTHO(1,2-D)THIAZOL-5-OL DERIVATIVES KENNETH S. WARREN INSTITUTE 2004-02-10 US disclosed
US-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 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-20030186993-A1 Anti-malarial compounds, compositions and methods TYR, CRYZ, RHOT2 HTT 282/4885PTGS1 1815/4885PTGS2 1247/4885

“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.