SCHEMBL368158

SCHEMBL368158

CC(C)N1CCN(c2cc(NCS(C)(=O)=O)c3nc(C(=O)NCc4ccc(F)cc4)c(OCc4ccccc4)c(=O)n3c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.36
TP53 P04637 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR6 P50406 1/20 0.35
HTR7 P34969 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SCD O00767 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL368655 0.93 HTR6 (0.43) DCTPP1TP53SMN1; SMN2MAPTGAA
SCHEMBL15092114 0.87 ESR1 (0.37) TP53MAPTLMNAHTR6KMT2A
SCHEMBL368157 0.87 DCTPP1 (0.36) DCTPP1TP53SMN1; SMN2MAPTLMNA
Trifluoroacetic Acid SCHEMBL368836 0.85 KCNH2 (0.39) DCTPP1SMN1; SMN2GAACYP3A4CYP2C9
SCHEMBL1222170 0.84 PIK3CA (0.35) TP53L3MBTL1MEN1KMT2ACYP3A4
SCHEMBL368656 0.80 SMN1; SMN2 (0.40) DCTPP1TP53SMN1; SMN2MAPTLMNA
SCHEMBL369035 0.79 SCD (0.38) TP53SMN1; SMN2MAPTGAALMNA
SCHEMBL368831 0.79 KCNH2 (0.42) DCTPP1TP53SMN1; SMN2MAPTHTR6
SCHEMBL369088 0.79 HTR6 (0.45) MAPTGAALMNAHTR6MEN1
SCHEMBL2816717 0.78 PIK3CB (0.41) MAPTHTR6MEN1KMT2ACYP3A4

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 DCTPP1 127/4885TP53 3404/4885SMN1; SMN2 2192/4885

“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.