SCHEMBL3935110

SCHEMBL3935110

[CH2]C(=O)N(N)C(=O)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.45
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
MPO P05164 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2A6 P11509 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
LTA4H P09960 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
HTT P42858 1/20 0.38
PLOD2 O00469 1/20 0.37

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
SCHEMBL6503060 0.87 NAPRT (0.52) NAPRTKDM4EKMT2ACYP1A2CYP3A4
SCHEMBL2988329 0.83 NAPRT (0.48) NAPRTKDM4EKMT2ACYP1A2CYP3A4
SCHEMBL6614684 0.80 NAPRT (0.45) NAPRTKDM4EKMT2ACYP1A2CYP3A4
SCHEMBL1415951 0.80 KDM4E (0.49) NAPRTKDM4EKMT2ACYP1A2CYP3A4
SCHEMBL27810441 0.79 NAPRT (0.52) NAPRTKDM4EKMT2ACYP1A2CYP3A4
SCHEMBL21144262 0.77 CA1 (0.43) NAPRTKDM4EKMT2ACYP1A2CYP3A4
SCHEMBL21805934 0.76 KDM4E (0.45) NAPRTKDM4EKMT2ACYP1A2CYP3A4
SCHEMBL7554003 0.76 KMT2A (0.45) NAPRTKDM4EKMT2ACYP1A2CYP3A4
SCHEMBL7584545 0.76 KDM4E (0.44) NAPRTKDM4EKMT2ACYP1A2CYP3A4
SCHEMBL25442819 0.75 NAPRT (0.48) NAPRTKDM4EKMT2ACYP1A2CYP3A4

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-2049536-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2009-04-22 EP disclosed
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US disclosed
WO-2008011521-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2008-01-24 WO disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 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 (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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS NAPRT 725/4885KDM4E 2576/4885KMT2A 2119/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 NAPRT 1889/4885KDM4E 2663/4885KMT2A 2460/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 NAPRT 1568/4885KDM4E 3075/4885KMT2A 4254/4885

“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.