SCHEMBL368656

SCHEMBL368656

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
DCTPP1 Q9H773 3/20 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
ACE2 Q9BYF1 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
HTR6 P50406 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
KCNH2 Q12809 1/20 0.36
AURKA O14965 1/20 0.36
FLT1 P17948 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
SCHEMBL368157 0.93 DCTPP1 (0.36) SMN1; SMN2TP53DCTPP1LMNAMAPT
SCHEMBL10070414 0.90 CNR2 (0.39) SMN1; SMN2TP53DCTPP1ACE2KCNH2
SCHEMBL359611 0.86 KCNH2 (0.46) SMN1; SMN2TP53DCTPP1MAPTACE2
SCHEMBL369089 0.86 JAK2 (0.39) KDM1ALMNAMAPTJAK2JAK3
SCHEMBL368655 0.86 HTR6 (0.43) SMN1; SMN2TP53DCTPP1KDM1ALMNA
SCHEMBL15101374 0.83 CNR2 (0.38) TP53DCTPP1KCNH2
SCHEMBL367788 0.82 LMNA (0.40) SMN1; SMN2TP53KDM1ALMNAMAPT
SCHEMBL369035 0.81 SCD (0.38) SMN1; SMN2TP53KDM1ALMNAMAPT
SCHEMBL368837 0.81 KCNH2 (0.35) SMN1; SMN2DCTPP1LMNAMAPTALDH1A1
SCHEMBL368158 0.80 DCTPP1 (0.36) SMN1; SMN2TP53DCTPP1LMNAMAPT

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

“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.