SCHEMBL6694725

SCHEMBL6694725

NC(=O)c1c[c]cnc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
KDR P35968 1/20 0.45
AURKB Q96GD4 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2C P28335 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
HSD11B1 P28845 1/20 0.44
DRD4 P21917 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43

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
SCHEMBL6695929 0.85 JAK2 (0.49) HTR1AADRA1D
SCHEMBL6702960 0.82 MAPK8 (0.48) ALDH1A1MAPTSMN1; SMN2
SCHEMBL6699529 0.78 TBK1 (0.44)
SCHEMBL7235226 0.74 HTR3E (0.61) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL6709357 0.71 GAA (0.49) AURKAKDRAURKBALDH1A1LMNA
SCHEMBL9686160 0.71 TRPA1 (0.54) AURKAKDRAURKBALDH1A1LMNA
SCHEMBL3158860 0.70 ALDH1A1 (0.68) ALDH1A1LMNAKDM4EMAPTSIGMAR1
SCHEMBL27739911 0.69 OPRM1 (0.71) AURKAKDRAURKBALDH1A1MAPT
SCHEMBL7233815 0.69 MEN1 (0.57) ALDH1A1LMNAKDM4EMAPTHTR3E
SCHEMBL3219141 0.69 NPC1 (0.55) ALDH1A1LMNAKDM4EMAPTHPGD

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-20040024215-A1 Benzamide derivatives and their use as apob-100 and mtp inhibitors SMITHKLINE BEECHAM CORPORATION 2004-02-05 US disclosed
US-20040009988-A1 Bioisosteric bensamide derivatives and their use as apob-100 secretion inhibitors SMITHKLINE BEECHAM CORPORATION 2004-01-15 US disclosed
EP-1289982-A1 BIOISOSTERIC BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2003-03-12 EP disclosed
EP-1289971-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 AND MTP INHIBITORS GLAXO GROUP LIMITED (GB) 2003-03-12 EP disclosed
WO-2001096327-A1 BIOISOSTERIC BENZAMIDE DERIVATIVES AND THEIR USE AS APoB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-12-20 WO disclosed
WO-2001092241-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 AND MTP INHIBITORS GLAXO GROUP LIMITED (GB) 2001-12-06 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 (2 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-20040024215-A1 Benzamide derivatives and their use as apob-100 and mtp inhibitors APOB, APOL1, CETP AURKA 2964/4885KDR 2950/4885AURKB 3212/4885
US-20040009988-A1 Bioisosteric bensamide derivatives and their use as apob-100 secretion inhibitors APOB, APOL1, TTR AURKA 3605/4885KDR 2072/4885AURKB 3498/4885

“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.