SCHEMBL7045265

SCHEMBL7045265

Nc1nc2ccc(Cl)c(Cl)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
BACE1 P56817 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
TYMS P04818 6/20 0.41
NUDT1 P36639 3/20 0.40
ALDH1A1 P00352 2/20 0.39
MASP2 O00187 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AOC3 Q16853 1/20 0.39
PLAU P00749 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38
QTRT1 Q9BXR0 1/20 0.35
XDH P47989 1/20 0.35
PTPN11 Q06124 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL17276078 0.81 HTR3E (0.49) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL27759850 0.81 HTR3E (0.44) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL30424520 0.81 HTR3E (0.44) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL1625968 0.79 HCAR1 (0.33) HCAR1
SCHEMBL3421751 0.76 ALDH1A1 (0.47) TYMSALDH1A1HCAR1TDP1
SCHEMBL8186343 0.76 HTR3E (0.43) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL5924246 0.76 TYMS (0.51) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL5738369 0.76 CACNA1H (0.36) HCAR1TDP1
SCHEMBL2368383 0.74 TYMS (0.63) TYMS
SCHEMBL15717554 0.74 ALDH1A1 (0.48) HTR3EHTR3BHTR3ABACE1HTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0845001-B1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS UNIV MICHIGAN (US) 2002-11-13 EP claimed
US-5874413-A CYTOMEGALO VIRUS UNIVERSITY OF MICHIGAN (US) 1999-02-23 US claimed
US-20030119762-A1 5'-substituted-ribofuranosyl benzimidazoles as antiviral agents TOWNSEND LEROY B (US) 2003-06-26 US disclosed
EP-0845001-B1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS UNIV MICHIGAN (US) 2002-11-13 EP disclosed
US-6455506-B1 Lyxofuranosyl benzimidazoles as antiviral agents SMITHKLINE BEECHAM CORPORATION 2002-09-24 US disclosed
US-20010011075-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS TOWNSEND LEROY B (US) 2001-08-02 US disclosed
EP-1000080-A1 LYXOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS The Regents of The University of Michigan (US) 2000-05-17 EP disclosed
US-5874413-A CYTOMEGALO VIRUS UNIVERSITY OF MICHIGAN (US) 1999-02-23 US disclosed
WO-1999006424-A1 LYXOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1999-02-11 WO disclosed
EP-0845001-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS The Regents of The University of Michigan (US) 1998-06-03 EP disclosed
WO-1997007125-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1997-02-27 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-20030119762-A1 5'-substituted-ribofuranosyl benzimidazoles as antiviral agents ZC3HAV1, ZC3HAV1L, IFNAR1 HTR3E 492/4885HTR3B 736/4885HTR3A 695/4885
US-20010011075-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, IFNAR1 HTR3E 492/4885HTR3B 736/4885HTR3A 695/4885

“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.