SCHEMBL5089019

SCHEMBL5089019

Cn1cncc1C(O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
IDO1 P14902 3/20 0.42
TDO2 P48775 1/20 0.42
CYP3A4 P08684 1/20 0.41
PDE10A Q9Y233 1/20 0.41
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
ALDH1A1 P00352 2/20 0.40
PGGT1B P53609 1/20 0.39
HPGD P15428 1/20 0.37
CYP19A1 P11511 3/20 0.37

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
SCHEMBL13461665 0.85 CYP17A1 (0.43) LMNASMN1; SMN2IDO1TDO2CYP3A4
SCHEMBL7571137 0.84 KDM4E (0.49) LMNASMN1; SMN2IDO1TDO2CYP3A4
SCHEMBL4395448 0.83 IDO1 (0.42) LMNASMN1; SMN2IDO1TDO2FNTA
SCHEMBL16462470 0.83 CYP3A4 (0.41) LMNASMN1; SMN2IDO1TDO2CYP3A4
SCHEMBL5099434 0.80 FNTA (0.50) FNTAFNTBPGGT1B
SCHEMBL5094152 0.76 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL16460462 0.75 SMN1; SMN2 (0.59) LMNASMN1; SMN2IDO1TDO2ALDH1A1
SCHEMBL3530021 0.74 LMNA (0.55) HRH3LMNASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL16460574 0.73 HRH3 (0.43) HRH3LMNASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL7569001 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2814814-B1 IMIDAZOLYLKETONE DERIVATIVES ASD ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN LA ROCHE (CH) 2019-05-08 EP disclosed
EP-2814814-B1 IMIDAZOLYLKETONE DERIVATIVES ASD ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN LA ROCHE (CH) 2019-05-08 EP disclosed
US-9464058-B2 Imidazolylketone derivatives HOFFMANN-LA ROCHE INC. (US) 2016-10-11 US disclosed
US-9464058-B2 Imidazolylketone derivatives HOFFMANN-LA ROCHE INC. (US) 2016-10-11 US disclosed
US-9464058-B2 Imidazolylketone derivatives HOFFMANN-LA ROCHE INC. (US) 2016-10-11 US disclosed
EP-3057951-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP disclosed
WO-2015057205-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
EP-2814814-A1 IMIDAZOLYLKETONE DERIVATIVES ASD ALDOSTERONE SYNTHASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-12-24 EP disclosed
US-20140128429-A1 NEW IMIDAZOLYLKETONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2014-05-08 US disclosed
US-20140128429-A1 NEW IMIDAZOLYLKETONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2014-05-08 US disclosed
US-20140128429-A1 NEW IMIDAZOLYLKETONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2014-05-08 US disclosed
WO-2013120771-A1 IMIDAZOLYLKETONE DERIVATIVES ASD ALDOSTERONE SYNTHASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 WO disclosed
WO-2013120771-A1 IMIDAZOLYLKETONE DERIVATIVES ASD ALDOSTERONE SYNTHASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 WO disclosed
US-7323570-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2008-01-29 US disclosed
US-7211595-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2007-05-01 US disclosed
US-20060264476-A1 Farnesyltransferase Inhibitors ABBVIE INC. 2006-11-23 US disclosed
EP-1339695-B1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LAB (US) 2006-04-19 EP disclosed
US-20030087940-A1 Farnesyltransferase inhibitors ABBVIE INC. 2003-05-08 US disclosed
US-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents ABBOTT LABORATORIES 2002-08-22 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 (4 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-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents FNTB, FNTA, ACAT2 HRH3 4532/4885LMNA 1756/4885SMN1; SMN2 4259/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS HRH3 4190/4885LMNA 3187/4885SMN1; SMN2 4698/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS HRH3 4297/4885LMNA 3363/4885SMN1; SMN2 4626/4885
US-20140128429-A1 NEW IMIDAZOLYLKETONE DERIVATIVES KCNK4, NEK5, FN3KRP HRH3 1902/4885LMNA 1477/4885SMN1; SMN2 2778/4885

“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.