SCHEMBL5789263

SCHEMBL5789263

[c]1nc(CCc2ccccc2)nc2scc(-c3cccs3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
STAT3 P40763 1/20 0.36
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CASP1 P29466 1/20 0.36
MAPT P10636 4/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 3/20 0.35
FLT3 P36888 1/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL5788978 0.89 STAT3 (0.37) HSD17B10MEN1KMT2AUSP2CYP1A2
SCHEMBL6359338 0.85 ESR1 (0.38) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL6364115 0.80 HTT (0.41) HSD17B10MEN1KMT2AUSP2ALDH1A1
SCHEMBL5791821 0.79 ALDH1A1 (0.39) HSD17B10MEN1KMT2AUSP2PKM
SCHEMBL6358001 0.79 ALDH1A1 (0.36) HSD17B10MEN1KMT2AUSP2ALDH1A1
SCHEMBL2369428 0.74 MAPT (0.38) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL5790639 0.69 HTT (0.35) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL2368559 0.66 CHEK1 (0.43) HSD17B10MEN1KMT2ACYP1A2CYP2C9
SCHEMBL3345523 0.65 LTA4H (0.56) MEN1KMT2AUSP2PKMALDH1A1
SCHEMBL14414210 0.60 MAPT (0.53) HSD17B10MEN1KMT2AUSP2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641803-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2006-04-05 EP disclosed
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 US disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 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-20050026935-A1 Compounds KCNJ11, KCNJ1, KCNH1 HSD17B10 905/4885MEN1 265/4885KMT2A 1857/4885

“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.