SCHEMBL6001380

SCHEMBL6001380

c1csc(-c2nc(Nc3ccc4c(c3)OCO4)c3ccccc3n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.67
ABCG2 Q9UNQ0 6/20 0.64
TGFBR1 P36897 1/20 0.63
ABCB1 P08183 2/20 0.62
ABCC1 P33527 1/20 0.62
MEN1 O00255 11/20 0.62
KMT2A Q03164 11/20 0.62
LMNA P02545 7/20 0.62
MAPK1 P28482 7/20 0.62
ALDH1A1 P00352 6/20 0.62
HSD17B10 Q99714 5/20 0.62
CYP1A2 P05177 4/20 0.62
CYP3A4 P08684 4/20 0.62
CYP2D6 P10635 4/20 0.62
CYP2C19 P33261 4/20 0.62
ALOX15 P16050 4/20 0.62
USP2 O75604 3/20 0.62
CLK4 Q9HAZ1 3/20 0.62
TP53 P04637 2/20 0.62
TSHR P16473 2/20 0.62

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
SCHEMBL22201446 0.82 ALDH1A1 (0.80) PDE5AABCG2TGFBR1ABCB1ABCC1
SCHEMBL6001182 0.81 HSD17B10 (0.49) TGFBR1MEN1KMT2ALMNAMAPK1
SCHEMBL6001170 0.81 LMNA (0.77) ABCG2TGFBR1MEN1KMT2ALMNA
SCHEMBL7440311 0.81 PDE5A (1.00) PDE5AABCG2ABCB1ABCC1MEN1
SCHEMBL6001908 0.80 PTGS2 (0.49) TGFBR1MEN1KMT2ALMNAMAPK1
SCHEMBL12316850 0.79 MEN1 (0.73) ABCG2TGFBR1ABCB1MEN1KMT2A
SCHEMBL2293460 0.78 MEN1 (0.69) ABCG2TGFBR1ABCB1MEN1KMT2A
SCHEMBL3114780 0.78 TGFBR1 (0.62) ABCG2TGFBR1MEN1KMT2ALMNA
SCHEMBL9937633 0.77 ABCG2 (0.74) PDE5AABCG2TGFBR1ABCB1ABCC1
SCHEMBL6001863 0.76 GBA1 (0.52) PDE5AABCG2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG PDE5A 3180/4885ABCG2 2694/4885TGFBR1 2427/4885

“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.