SCHEMBL4301154

SCHEMBL4301154

COc1cc2ccnc(O[C@@H]3C[C@@H](C(=O)O)N(C(=O)O)C3)c2cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
CASP3 P42574 1/20 0.39
PPP1CA P62136 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
IRAK4 Q9NWZ3 13/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
PDE10A Q9Y233 1/20 0.35
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL1070509 0.89 PIK3CD (0.39) APAF1TDP2NSD2CASP3PPP1CA
Hydrochloric Acid SCHEMBL733601 0.86 APAF1 (0.39) APAF1TDP2NSD2CASP3PPP1CA
SCHEMBL4297033 0.86 STING1 (0.38) IRAK4HCRTR1HCRTR2CYP3A4
SCHEMBL2744222 0.83 PLG (0.37) IRAK4HCRTR1HCRTR2
SCHEMBL16318728 0.81 CCNT1 (0.42) APAF1TDP2NSD2CASP3PPP1CA
SCHEMBL16318729 0.81 CCNT1 (0.42) APAF1TDP2NSD2CASP3PPP1CA
SCHEMBL4565058 0.80 MMP2 (0.38) IRAK4CYP3A4
SCHEMBL8190930 0.78 PIK3CD (0.39) IRAK4TRPA1CYP1A2CYP3A4CYP2D6
SCHEMBL1536529 0.78 PIK3CD (0.39) IRAK4TRPA1CYP1A2CYP3A4CYP2D6
SCHEMBL2892863 0.78 SMN1; SMN2 (0.40) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314062-B2 Macrocyclic compounds as antiviral agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-11-20 US disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 US 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-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 APAF1 898/4885TDP2 4827/4885NSD2 624/4885

“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.