SCHEMBL6706780

SCHEMBL6706780

Cc1cccc(C(=O)Nc2ccc(N3CCN(C(C)c4cccc(C#N)c4)CC3)cc2)c1-c1ccc(C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 2/20 0.49
MT-CO2 P00403 1/20 0.43
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MTTP P55157 2/20 0.42
APOB P04114 1/20 0.42
NPY2R P49146 1/20 0.42
LMNA P02545 1/20 0.41
ACKR3 P25106 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6944856 0.78 MAPT (0.47) PANK3MT-CO2MAPTALDH1A1NPC1
SCHEMBL6706038 0.78 NPY2R (0.43) MAPTALDH1A1NPC1RAB9AMTTP
SCHEMBL6698918 0.76 MAPT (0.53) PANK3MAPTALDH1A1NPC1RAB9A
SCHEMBL12157622 0.74 NPY2R (0.49) MT-CO2MAPTALDH1A1NPC1RAB9A
SCHEMBL6705579 0.74 ADRA1D (0.47) PANK3ACKR3NAMPT
SCHEMBL7067519 0.70 MAPT (0.53) MT-CO2MAPTALDH1A1NPC1RAB9A
SCHEMBL12157616 0.69 NPY2R (0.65) MTTPAPOBNPY2RSMO
SCHEMBL7253740 0.69 MT-CO2 (0.55) PANK3MT-CO2MAPTALDH1A1NPC1
SCHEMBL6706746 0.68 NPY2R (0.56) MAPTALDH1A1SMN1; SMN2GAAMTTP
SCHEMBL7253746 0.68 ALDH1A1 (0.45) PANK3MT-CO2MAPTALDH1A1NPC1

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-20040024215-A1 Benzamide derivatives and their use as apob-100 and mtp inhibitors SMITHKLINE BEECHAM CORPORATION 2004-02-05 US claimed
EP-1289971-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 AND MTP INHIBITORS GLAXO GROUP LIMITED (GB) 2003-03-12 EP claimed
WO-2001092241-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 AND MTP INHIBITORS GLAXO GROUP LIMITED (GB) 2001-12-06 WO claimed
US-20040024215-A1 Benzamide derivatives and their use as apob-100 and mtp inhibitors SMITHKLINE BEECHAM CORPORATION 2004-02-05 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-20040024215-A1 Benzamide derivatives and their use as apob-100 and mtp inhibitors APOB, APOL1, CETP PANK3 4413/4885MT-CO2 389/4885MAPT 4615/4885

“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.