SCHEMBL1596908

SCHEMBL1596908

COCCCOc1cc(Br)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
KMT2A Q03164 3/20 0.43
SLC6A4 P31645 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 3/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL427426 0.91 KDR (0.40) KDM4EKMT2ASLC6A4L3MBTL1TDP1
SCHEMBL1091776 0.82 HPGD (0.51) KDM4EKMT2AL3MBTL1TDP1NPC1
SCHEMBL981866 0.82 CYP3A4 (0.39) KDM4ESLC6A4L3MBTL1TDP1RET
SCHEMBL4312996 0.82 HTR2A (0.38) KDM4EKMT2ASLC6A4L3MBTL1TDP1
SCHEMBL7648110 0.81 SMN1; SMN2 (0.46) KMT2AL3MBTL1TDP1NPC1RAB9A
SCHEMBL17893778 0.81 L3MBTL1 (0.53) KDM4EKMT2AL3MBTL1TDP1NPC1
SCHEMBL429553 0.81 KDM4E (0.50) KDM4EKMT2AL3MBTL1TDP1NPC1
SCHEMBL29521181 0.81 MAPT (0.50) KDM4EKMT2AL3MBTL1TDP1NPC1
SCHEMBL842107 0.81 MAPT (0.50) KDM4EKMT2AL3MBTL1TDP1NPC1
SCHEMBL4311584 0.80 HTR2A (0.39) SLC6A4RAB9ASMN1; SMN2HPGD

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020239656-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF HEPATITIS B GALAPAGOS NV (BE) 2020-12-03 WO disclosed
WO-2020239656-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF HEPATITIS B GALAPAGOS NV (BE) 2020-12-03 WO disclosed
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
EP-3099685-B1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
EP-3099685-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2016-12-07 EP disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
EP-1958666-A1 Heterocyclic-substituted alkanamides as therapeutic compounds Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
US-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors NOVARTIS AG (CH) 2008-07-24 US disclosed
EP-1856032-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-11-21 EP disclosed
US-20070135498-A1 5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-8-methyl-nonanoic acid (1-hydroxymethyl-cyclopentyl)-amide; hypertension, atherosclerosis, unstable coronary syndrome, congestive heart failure, cardiac hypertrophy, cardiac fibrosis, cardiomyopathy postinfarction, alzheimers NOVARTIS AG (CH) 2007-06-14 US disclosed
US-20070135498-A1 5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-8-methyl-nonanoic acid (1-hydroxymethyl-cyclopentyl)-amide; hypertension, atherosclerosis, unstable coronary syndrome, congestive heart failure, cardiac hypertrophy, cardiac fibrosis, cardiomyopathy postinfarction, alzheimers NOVARTIS AG (CH) 2007-06-14 US disclosed
US-20070135498-A1 5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-8-methyl-nonanoic acid (1-hydroxymethyl-cyclopentyl)-amide; hypertension, atherosclerosis, unstable coronary syndrome, congestive heart failure, cardiac hypertrophy, cardiac fibrosis, cardiomyopathy postinfarction, alzheimers NOVARTIS AG (CH) 2007-06-14 US disclosed
WO-2006095020-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-09-14 WO disclosed
EP-1689702-A1 ORGANIC COMPOUNDS NOVARTIS-PHARMA GMBH (AT) 2006-08-16 EP disclosed
WO-2005051895-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-06-09 WO disclosed
WO-2005051895-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-06-09 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-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors REN, ACE, AGTR1 KDM4E 1612/4885KMT2A 2552/4885SLC6A4 1845/4885
US-20070135498-A1 5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-8-methyl-nonanoic acid (1-hydroxymethyl-cyclopentyl)-amide; hypertension, atherosclerosis, unstable coronary syndrome, congestive heart failure, cardiac hypertrophy, cardiac fibrosis, cardiomyopathy postinfarction, alzheimers AGTR1, REN, AGTR2 KDM4E 2475/4885KMT2A 3140/4885SLC6A4 1162/4885
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, HCCS, DHX15 KDM4E 738/4885KMT2A 2222/4885SLC6A4 4475/4885

“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.