SCHEMBL993562

SCHEMBL993562

O=C(O)c1cccc(CNCc2cccnc2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ MEP1B Q16820 1/20 0.57
▸ KMO O15229 1/20 0.55
▸ MAPK1 P28482 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ APP P05067 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HCAR3 P49019 1/20 0.53
▸ HCAR2 Q8TDS4 1/20 0.53
▸ VNN1 O95497 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ KEAP1 Q14145 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ TSHR P16473 1/20 0.51

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
SCHEMBL20236126 0.85 CYP1A2 (0.66) CYP1A2CYP2D6MAPK1ALDH1A1APP
SCHEMBL17144500 0.83 KDM5B (0.61) CYP1A2CYP2D6MAPK1ALDH1A1VNN1
SCHEMBL13403930 0.83 KMO (0.59) KMOALDH1A1APPGAAHCAR3
SCHEMBL15708831 0.83 LTA4H (0.63) KMOALDH1A1GAAVNN1SMN1; SMN2
SCHEMBL14931895 0.82 CYP1A2 (0.84) CYP1A2CYP2D6MAPK1ALDH1A1NPSR1
SCHEMBL20209411 0.80 VNN1 (0.60) CYP1A2CYP2D6MAPK1VNN1NPC1
SCHEMBL2861457 0.79 CYP1A2 (1.00) CYP1A2CYP2D6MAPK1ALDH1A1NPSR1
SCHEMBL14793785 0.78 MEP1B (0.63) MEP1B
SCHEMBL1042402 0.77 CYP1A2 (0.88) CYP1A2CYP2D6MAPK1ALDH1A1NPSR1
SCHEMBL22304865 0.77 CYP1A2 (0.88) CYP1A2CYP2D6MAPK1ALDH1A1NPSR1

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
WO-2010130708-A9 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-13 — — WO disclosed
WO-2010130708-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-11-18 — — WO disclosed
US-20100292185-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD (BM) 2010-11-18 — — 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-20100292185-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB CYP1A2 740/4885CYP2D6 203/4885MEP1B 721/4885

“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.

Send feedback