SCHEMBL3699108

SCHEMBL3699108

NC1CN(C(=O)NCc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
KDM4E B2RXH2 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
TPSAB1 Q15661 1/20 0.55
RORC P51449 1/20 0.53
F2 P00734 1/20 0.52
PRSS1 P07477 1/20 0.52
TP53 P04637 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
GRIN2B Q13224 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49

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
SCHEMBL6813790 0.84 MEN1 (0.72) NPSR1KMT2AMEN1KDM4EHRH3
SCHEMBL14211340 0.81 NPSR1 (0.56) NPSR1KMT2AMEN1KDM4EHRH3
SCHEMBL1574791 0.80 KDM4E (0.56) NPSR1KMT2AMEN1KDM4EHRH3
SCHEMBL1575000 0.79 HRH3 (0.69) NPSR1KMT2AMEN1KDM4EHRH3
SCHEMBL5800630 0.78 KDM4E (0.69) NPSR1KMT2AMEN1KDM4EHRH3
SCHEMBL4197501 0.78 KDM4E (0.69) NPSR1KMT2AMEN1KDM4EHRH3
SCHEMBL1575702 0.78 HRH3 (0.67) NPSR1KMT2AMEN1KDM4EHRH3
SCHEMBL1575910 0.78 HRH3 (0.67) NPSR1KMT2AMEN1KDM4EHRH3
SCHEMBL1574418 0.78 KDM4E (0.57) NPSR1KMT2AMEN1KDM4EHRH3
SCHEMBL1575065 0.77 KDM4E (0.52) NPSR1KMT2AMEN1KDM4EHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 NPSR1 2288/4885KMT2A 3145/4885MEN1 4257/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 NPSR1 2288/4885KMT2A 3145/4885MEN1 4257/4885

“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.