SCHEMBL3782352

SCHEMBL3782352

O=C(Nc1ccn([C@H]2C=C[C@@H](CO)O2)c(=O)n1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.63
RIN1 Q13671 1/20 0.63
POLB P06746 2/20 0.57
P2RY6 Q15077 2/20 0.50
P2RY14 Q15391 2/20 0.50
NT5E P21589 1/20 0.50
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ALB P02768 1/20 0.37
ADRA1A P35348 1/20 0.37
BLM P54132 1/20 0.37
CYP2C9 P11712 1/20 0.36
ST6GAL1 P15907 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL10509638 0.85 ABL1 (0.46) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL10509560 0.84 ABL1 (0.43) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL10512146 0.81 ABL1 (0.41) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL4285392 0.81 LMNA (0.43) ABL1RIN1POLBP2RY6MEN1
SCHEMBL25765213 0.79 ABL1 (0.61) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL18852530 0.78 P2RY6 (0.70) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL565904 0.78 P2RY6 (0.70) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL565905 0.78 P2RY6 (0.70) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL7267465 0.78 P2RY6 (0.70) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL14853856 0.78 P2RY6 (0.70) ABL1RIN1POLBP2RY6P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-RE42015-E1 N4-acylcytosine-1,3-dioxolane nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2010-12-28 US disclosed
EP-1569652-A4 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET INC (US) 2008-07-02 EP disclosed
US-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections GILEAD PHARMASSET LLC 2007-04-05 US disclosed
EP-1569652-A2 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS Pharmasset Ltd. (BB) 2005-09-07 EP disclosed
US-6908924-B2 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts PHARMASSET, INC. (US) 2005-06-21 US disclosed
US-20030176319-A1 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts GILEAD PHARMASSET LLC 2003-09-18 US disclosed
WO-2003063771-A2 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET LTD. (BB) 2003-08-07 WO disclosed
WO-2003051306-A2 N4-ACYLCYTOSINE-1,3-DIOXOLANE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET LTD. (BB) 2003-06-26 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 (3 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-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections ENTPD5, DUT, NT5C3B ABL1 3374/4885RIN1 2959/4885POLB 564/4885
US-20030176319-A1 For therapy and prophylaxis of human immunodeficiency virus (HIV) and hepatitis B virus (HBV) infections, in human patients or other animal hosts ENTPD5, CDA, ADA ABL1 3747/4885RIN1 3898/4885POLB 978/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B ABL1 3525/4885RIN1 2790/4885POLB 621/4885

“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.