Sugi Predict

Sugi Predict / Compounds / SCHEMBL371233

SCHEMBL371233

SCHEMBL371233

CN1CCN(c2cc(N3CCCC3=O)c3nc(C(=O)NCc4ccc(F)cc4)c(O)c(=O)n3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ CYP2C9 P11712 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ GALR3 O60755 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CALCA P06881 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ KCNE1 P15382 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ KCNQ1 P51787 1/20 0.38
▸ TTK P33981 1/20 0.38
▸ ERCC1 P07992 1/20 0.38
▸ FEN1 P39748 1/20 0.38

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
SCHEMBL368651 0.98 LMNA (0.45) LMNACYP2C9KCNH2GALR3TSHR
SCHEMBL370304 0.89 ACE2 (0.40) LMNACYP2C9KCNH2SMN1; SMN2CYP3A4
SCHEMBL368702 0.89 CYP2C9 (0.39) LMNACYP2C9KCNH2SMN1; SMN2CYP3A4
SCHEMBL369169 0.87 ACE2 (0.41) LMNACYP2C9KCNH2HTTSMN1; SMN2
SCHEMBL10070939 0.86 LMNA (0.41) LMNACYP2C9GALR3TSHRHTT
SCHEMBL368069 0.86 KCNH2 (0.40) CYP2C9KCNH2SMN1; SMN2CYP3A4CYP2C19
SCHEMBL367914 0.86 PSMD14 (0.41) LMNACYP2C9KCNH2SMN1; SMN2CYP3A4
SCHEMBL10069921 0.85 CALCA (0.41) CYP2C9KCNH2TSHRSMN1; SMN2CYP3A4
SCHEMBL367788 0.85 LMNA (0.40) LMNATSHRSMN1; SMN2L3MBTL1MAPT
SCHEMBL368488 0.84 CYP2C9 (0.41) LMNACYP2C9KCNH2SMN1; SMN2CYP3A4

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 6 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
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 — — US disclosed
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
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 LMNA 4293/4885CYP2C9 2213/4885KCNH2 4307/4885

“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.