SCHEMBL368655

SCHEMBL368655

CN1CCN(c2cc(NCS(C)(=O)=O)c3nc(C(=O)NCc4ccc(F)cc4)c(OCc4ccccc4)c(=O)n3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
DCTPP1 Q9H773 2/20 0.37
KDM1A O60341 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
INSR P06213 1/20 0.36
ALK Q9UM73 1/20 0.36

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
SCHEMBL368158 0.93 DCTPP1 (0.36) HTR6SMN1; SMN2TP53DCTPP1LMNA
SCHEMBL369088 0.86 HTR6 (0.45) HTR6KDM1ALMNAMAPTGAA
SCHEMBL368831 0.86 KCNH2 (0.42) HTR6SMN1; SMN2TP53DCTPP1MAPT
SCHEMBL368656 0.86 SMN1; SMN2 (0.40) HTR6SMN1; SMN2TP53CTNNB1TCF7L2
SCHEMBL1222170 0.86 PIK3CA (0.35) TP53KDM1AL3MBTL1TSHRMEN1
SCHEMBL367788 0.84 LMNA (0.40) HTR6SMN1; SMN2TP53CTNNB1TCF7L2
SCHEMBL369035 0.82 SCD (0.38) HTR6SMN1; SMN2TP53CTNNB1TCF7L2
SCHEMBL2816717 0.80 PIK3CB (0.41) HTR6MAPTALDH1A1MEN1KMT2A
SCHEMBL368157 0.80 DCTPP1 (0.36) SMN1; SMN2TP53DCTPP1LMNAMAPT
SCHEMBL369910 0.80 TP53 (0.39) SMN1; SMN2TP53CTNNB1TCF7L2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
EP-2593460-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS Avexa Limited (AU) 2013-05-22 EP disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 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 (1 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-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 HTR6 3835/4885SMN1; SMN2 2192/4885TP53 3404/4885

“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.