SCHEMBL9739844

SCHEMBL9739844

Nc1nc2c(c(=O)[nH]1)NCN2CO

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.60
NOS1 P29475 5/20 0.38
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
USP2 O75604 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PAH P00439 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PNP P00491 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
Glycidol SCHEMBL9761361 0.88 HPRT1 (0.59) HPRT1NOS1NOS3NOS2PNP
SCHEMBL21637016 0.86 HPRT1 (0.57) HPRT1NOS1NOS3NOS2PNP
SCHEMBL3836268 0.85 HPRT1 (0.61) HPRT1NOS1NOS3NOS2PNP
SCHEMBL3743947 0.84 HPRT1 (0.56) HPRT1NOS1NOS3NOS2USP2
SCHEMBL571646 0.84 HPRT1 (0.60) HPRT1NOS1PNP
SCHEMBL8149575 0.84 HPRT1 (0.60) HPRT1NOS1NOS3NOS2USP2
SCHEMBL1672180 0.84 HPRT1 (0.56) HPRT1NOS1NOS3NOS2USP2
SCHEMBL7745028 0.83 HPRT1 (0.64) HPRT1NOS1USP2CASP7HSD17B10
SCHEMBL10506465 0.83 HPRT1 (0.53) HPRT1NOS1NOS3NOS2USP2
SCHEMBL10506166 0.83 HPRT1 (0.53) HPRT1NOS1NOS3NOS2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11382919-B2 Prevention and treatment of viral infections ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2022-07-12 US disclosed
US-20200383994-A1 PREVENTION AND TREATMENT OF VIRAL INFECTIONS ALBERT EINSTEIN COLLEGE OF MEDICINE 2020-12-10 US disclosed
US-9333219-B2 Method to treat or prevent herpesvirus infections ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2016-05-10 US disclosed
US-20150190419-A1 METHOD TO TREAT OR PREVENT HERPESVIRUS INFECTIONS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2015-07-09 US disclosed
WO-2014022185-A2 METHOD TO TREAT OR PREVENT HERPESVIRUS INFECTIONS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2014-02-06 WO disclosed
US-5175151-A Useful for treating herpes group viruses SCHERING CORPORATION (US) 1992-12-29 US disclosed
US-4360522-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-11-23 US disclosed
US-4323573-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-04-06 US disclosed
US-4294831-A ANTIVIRAL ACTIVITY BURROUGHS WELLCOME CO. (US) 1981-10-13 US disclosed
US-4287188-A PARTICULARLY 9-(2-HYDROXYETHOXYMETHYL) GUANINE MONOPHOSPHATE AND SALTS, USEFUL AS ANTIVIRIAL AGENTS BURROUGHS WELLCOME CO. (US) 1981-09-01 US disclosed
US-4199574-A Methods and compositions for treating viral infections and guanine acyclic nucleosides BURROUGHS WELLCOME CO. (US) 1980-04-22 US disclosed
US-4146715-A ANTIVIRAL AGENTS BURROUGHS WELLCOME CO. (US) 1979-03-27 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 (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-11382919-B2 Prevention and treatment of viral infections SMPD1, PTDSS1, PHOSPHO1 HPRT1 1687/4885NOS1 2854/4885NOS3 3023/4885
US-20200383994-A1 PREVENTION AND TREATMENT OF VIRAL INFECTIONS SMPD1, PTDSS1, PHOSPHO1 HPRT1 1687/4885NOS1 2854/4885NOS3 3023/4885

“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.