SCHEMBL6589147

SCHEMBL6589147

COc1ccnc2c(Cl)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DOT1L Q8TEK3 1/20 0.50
SLC40A1 Q9NP59 2/20 0.49
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
G6PD P11413 1/20 0.46
PLAU P00749 1/20 0.42
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41

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
SCHEMBL7461220 0.88 NR4A2 (0.47) NR4A2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL1132599 0.86 G6PD (0.54) NR4A2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL7531657 0.85 NR4A2 (0.59) NR4A2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL7459668 0.84 NR4A2 (0.47) NR4A2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL13757430 0.83 NR4A2 (0.53) NR4A2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL13763605 0.83 NR4A2 (0.53) NR4A2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL11129174 0.82 NR4A2 (0.61) NR4A2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL13757501 0.81 NR4A2 (0.51) NR4A2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL7458613 0.81 NR4A2 (0.54) NR4A2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL14871760 0.80 HTR1A (0.53) SLC40A1HTR1AADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
EP-1114033-B1 4-CARBOXYAMINO-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PROD INC (US) 2004-09-29 EP disclosed
US-6395751-B1 SYNERGISTIC MIXTURE; ANTICHOLESTEROL AGENTS PFIZER INC. 2002-05-28 US disclosed
EP-1114033-A1 4-CARBOXYAMINO-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS Pfizer Products Inc. (US) 2001-07-11 EP disclosed
US-6147090-A CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS USED TO TREAT DISEASES WHICH ARE EXACERBATED BY LOW LEVELS OF HDL CHOLESTEROL AND/OR HIGH LEVELS OF LDL-CHOLESTEROL AND TRIGLYCERIDES, SUCH AS ATHEROSCLEROSIS AND CARDIOVASCULAR PFIZER INC. (US) 2000-11-14 US disclosed
WO-2000017166-A1 4-CARBOXYAMINO-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-03-30 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-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs DPP3, CTSC, ANPEP NR4A2 1614/4885SMN1; SMN2 4344/4885KDM4E 3511/4885
US-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 NR4A2 3771/4885SMN1; SMN2 1564/4885KDM4E 2496/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NR4A2 3771/4885SMN1; SMN2 1564/4885KDM4E 2496/4885

“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.