SCHEMBL6503514

SCHEMBL6503514

Nc1ccc(N(C=O)CCc2ccccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TSHR P16473 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 2/20 0.42
PRMT1 Q99873 1/20 0.42
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LIN28A Q9H9Z2 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6227384 0.88 CYP1A2 (0.49) HRH1CYP1A2CYP3A4TSHRCYP2D6
SCHEMBL6227307 0.86 NPSR1 (0.55) HRH1L3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL6226630 0.82 NPC1 (0.50) CYP1A2CYP3A4TSHRCYP2D6CYP2C9
SCHEMBL6793043 0.81 POLB (0.56) L3MBTL1CYP1A2CYP3A4TSHRCYP2D6
SCHEMBL6503516 0.79 ASIC3 (0.37) L3MBTL1CYP1A2CYP3A4TSHRCYP2D6
Hydrochloric Acid SCHEMBL6793035 0.78 SYK (0.44) HRH1L3MBTL1CYP1A2CYP3A4MAOA
SCHEMBL6788629 0.78 CYP1A2 (0.58) HRH1L3MBTL1CYP1A2CYP3A4MAOA
SCHEMBL6678976 0.77 CYP1A2 (0.55) HRH1L3MBTL1CYP1A2CYP3A4MAOA
SCHEMBL6789857 0.75 CYP1A2 (0.46) HRH1L3MBTL1CYP1A2CYP3A4MAOA
SCHEMBL6230561 0.74 TSHR (0.49) HRH1CYP1A2CYP3A4TSHRCYP2D6

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
US-20040133008-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed
US-20040058903-A1 Benzamide compounds as apo b secretion inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-25 US disclosed
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 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 (3 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-20040058903-A1 Benzamide compounds as apo b secretion inhibitors APOB, APOL1, SCARB1 HRH1 2062/4885L3MBTL1 1793/4885CYP1A2 640/4885
US-20040133008-A1 Amide compounds APOB, APOL1, LDLR HRH1 1147/4885L3MBTL1 1609/4885CYP1A2 522/4885
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 HRH1 813/4885L3MBTL1 2276/4885CYP1A2 115/4885

“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.