SCHEMBL368995

SCHEMBL368995

COC(=O)c1nc2c(N3CCCCC3=O)cc(Br)cn2c(=O)c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.37
F10 P00742 3/20 0.36
MGAT2 Q10469 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
P2RX3 P56373 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DHODH Q02127 1/20 0.33
FAAH O00519 1/20 0.33
CNR2 P34972 1/20 0.33
NMT1 P30419 1/20 0.33

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
SCHEMBL369332 0.97 LMNA (0.41) HPGDLMNAMAPTTP53F10
SCHEMBL15097284 0.88 LMNA (0.38) HPGDLMNAMAPTTP53ALDH1A1
SCHEMBL369721 0.87 LMNA (0.38) HPGDLMNAMAPTTP53ALDH1A1
SCHEMBL367531 0.87 MAPK1 (0.40) HPGDLMNAMAPTF10ALDH1A1
SCHEMBL10071008 0.86 ALDH1A1 (0.33) HPGDLMNATP53ALDH1A1KDM4E
SCHEMBL369238 0.86 LMNA (0.39) HPGDLMNAMAPTTP53ALDH1A1
SCHEMBL367738 0.85 NAAA (0.39) HPGDLMNAMAPTTP53MGAT2
SCHEMBL369160 0.84 MAPK1 (0.41) HPGDLMNAMAPTALDH1A1USP2
SCHEMBL369582 0.84 LMNA (0.38) HPGDLMNAMAPTTP53ALDH1A1
SCHEMBL10070426 0.84 ALDH1A1 (0.35) HPGDLMNAALDH1A1NR1H4HSD17B10

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 4 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
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 HPGD 2087/4885LMNA 4293/4885MAPT 4213/4885

“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.