SCHEMBL5898609

SCHEMBL5898609

C#CCCCCCCCCCOCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.39
CES2 O00748 2/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.35
CES1 P23141 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
ADRB2 P07550 1/20 0.33

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
SCHEMBL17539122 1.00 MAPT (0.45) MAPTHTTMEN1THRBKMT2A
SCHEMBL10972888 1.00 MAPT (0.45) MAPTHTTMEN1THRBKMT2A
SCHEMBL14480533 0.95 HTT (0.50) MAPTHTTMEN1THRBKMT2A
SCHEMBL14480434 0.95 HTT (0.50) MAPTHTTMEN1THRBKMT2A
SCHEMBL14480388 0.95 HTT (0.50) MAPTHTTMEN1THRBKMT2A
SCHEMBL14480438 0.95 HTT (0.50) MAPTHTTMEN1THRBKMT2A
SCHEMBL23567226 0.91 MAPT (0.38) MAPTHTTMEN1THRBKMT2A
SCHEMBL23567305 0.91 MAPT (0.38) MAPTHTTMEN1THRBKMT2A
SCHEMBL23567303 0.91 MAPT (0.38) MAPTHTTMEN1THRBKMT2A
SCHEMBL23567297 0.91 MAPT (0.38) MAPTHTTMEN1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729153-B1 CONDENSED PYRIMIDINE NUCLEOSIDE ANALOGS AS ANTI-VIRAL AGENTS UNIV CARDIFF (GB) 2015-09-16 EP disclosed
US-8551966-B2 Chemical compounds UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2013-10-08 US disclosed
US-20130012468-A1 CHEMICAL COMPOUNDS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2013-01-10 US disclosed
US-7019135-B2 Anti-viral pyrimidine nucleoside analogues UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2006-03-28 US disclosed
EP-1280813-B1 ANTI-VIRAL PYRIMIDINE NUCLEOSIDE ANALOGUES UNIV CARDIFF (GB) 2003-11-12 EP disclosed
US-20030176370-A1 Anti-viral pyrimidine nucleoside analogues UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2003-09-18 US disclosed
EP-1280813-A1 ANTI-VIRAL PYRIMIDINE NUCLEOSIDE ANALOGUES University College Cardiff Consultants Limited (GB) 2003-02-05 EP disclosed
WO-2001085749-A1 ANTI-VIRAL PYRIMIDINE NUCLEOSIDE ANALOGUES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-11-15 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 (2 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-20030176370-A1 Anti-viral pyrimidine nucleoside analogues CCNO, TYMP, TK1 MAPT 3872/4885HTT 1238/4885MEN1 3672/4885
US-20130012468-A1 CHEMICAL COMPOUNDS ADAR, UMPS, RNASEL MAPT 3571/4885HTT 3013/4885MEN1 880/4885

“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.