SCHEMBL3387083

SCHEMBL3387083

c1ccc(-c2csc3nc(NCc4ccco4)nc(NCc4ccco4)c23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.55
PDE5A O76074 1/20 0.48
REN P00797 1/20 0.48
KCNH3 Q9ULD8 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
PLEC Q15149 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 5/20 0.46
KDM4E B2RXH2 4/20 0.46
TNF P01375 1/20 0.45
NOD1 Q9Y239 1/20 0.45
LMNA P02545 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43

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
SCHEMBL3388141 0.89 ALDH1A1 (0.57) ESR1PDE5ARENMEN1KMT2A
SCHEMBL3382545 0.89 ESR1 (0.71) ESR1PDE5ARENMEN1KMT2A
SCHEMBL3385359 0.87 LMNA (0.52) ESR1PDE5ARENMEN1KMT2A
SCHEMBL2368077 0.86 ESR1 (0.50) ESR1PDE5ARENMEN1KMT2A
SCHEMBL2368308 0.84 MAPK1 (0.65) ESR1RENMEN1KMT2APOLB
SCHEMBL23580731 0.83 ALDH1A1 (0.60) ESR1PDE5ARENMEN1KMT2A
SCHEMBL31336876 0.83 ALDH1A1 (0.60) ESR1PDE5ARENMEN1KMT2A
SCHEMBL3386724 0.83 ESR1 (0.53) ESR1PDE5ARENMEN1KMT2A
SCHEMBL2369038 0.79 ALDH1A1 (0.59) ESR1MEN1KMT2APOLBPLEC
SCHEMBL379745 0.78 EED (0.49) ESR1PDE5ARENMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 EP disclosed
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 ESR1 4494/4885PDE5A 504/4885REN 173/4885

“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.