SCHEMBL5898604

SCHEMBL5898604

C#CCCCCCCCCCOCCCCCl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL29250177 0.89 CA2 (0.30) MAPT
SCHEMBL29684541 0.88 MAPT (0.42) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL8130138 0.85 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL8660949 0.85 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL8663867 0.85 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL16161159 0.85 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL9585705 0.85 CYP1A2 (0.39) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL8679600 0.85
SCHEMBL3679794 0.85
SCHEMBL10926007 0.85 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19

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
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 (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-20030176370-A1 Anti-viral pyrimidine nucleoside analogues CCNO, TYMP, TK1 CYP1A2 2573/4885CYP2D6 1548/4885MAPT 3872/4885

“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.