SCHEMBL3388458

SCHEMBL3388458

c1ccc(-c2csc3ncnc(NCC4OCCO4)c23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.64
HTT P42858 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPK1 P28482 3/20 0.64
ALDH1A1 P00352 3/20 0.64
NCOA1 Q15788 1/20 0.61
NCOA3 Q9Y6Q9 1/20 0.61
TNF P01375 1/20 0.58
NOD1 Q9Y239 1/20 0.58
FGFR1 P11362 4/20 0.55
CCNC P24863 1/20 0.54
CDK8 P49336 1/20 0.54
KDM4E B2RXH2 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CSNK2A2 P19784 2/20 0.52
CSNK2B P67870 2/20 0.52
CSNK2A1 P68400 2/20 0.52
THRB P10828 1/20 0.52
PTPN5 P54829 1/20 0.52
MEN1 O00255 1/20 0.51

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
SCHEMBL2368726 0.84 HTT (0.66) LMNAHTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL2368375 0.84 LMNA (0.65) LMNAHTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL2369025 0.81 LMNA (0.61) LMNAHTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL5789044 0.78 ATM (0.65) LMNAHTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL2369277 0.78 CCNC (0.78) LMNAHTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL1899788 0.77 ALDH1A1 (0.72) LMNAHTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL3169227 0.77 MAPK1 (0.65) LMNAHTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL2368858 0.76 MAPK1 (0.67) LMNAHTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL31336989 0.76 ADRB3 (0.57) LMNAHTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL2369595 0.76 MAPK1 (0.63) LMNAHTTSMN1; SMN2MAPK1ALDH1A1

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 4 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
CN-1823071-A Thienopyrimidine derivatives as potassium channel inhibitors XENTION DISCOVERY LTD (GB) 2006-08-23 CN disclosed
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 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-20050026935-A1 Compounds KCNJ11, KCNJ1, KCNH1 LMNA 1126/4885HTT 543/4885SMN1; SMN2 1520/4885

“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.