SCHEMBL4641391

SCHEMBL4641391

COCCCOc1cc(Br)ccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
EPHX2 P34913 1/20 0.42
HPGD P15428 3/20 0.39
IDO1 P14902 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
S1PR4 O95977 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
SCHEMBL20463693 0.83 L3MBTL1 (0.44) KDM4ERAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL842107 0.82 MAPT (0.50) KDM4ERAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL29521181 0.82 MAPT (0.50) KDM4ERAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL20456075 0.82 HTT (0.36) KDM4EKMT2ALMNAHPGDALDH1A1
SCHEMBL25371933 0.81 EPHX2 (0.43) KDM4EEPHX2HPGDIDO1SLC6A4
SCHEMBL30694809 0.81 EPHX2 (0.43) KDM4EEPHX2HPGDIDO1SLC6A4
SCHEMBL89647 0.80 S1PR4 (0.41) KDM4ERAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL29098918 0.80 SMN1; SMN2 (0.45) KDM4ERAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL17893778 0.79 L3MBTL1 (0.53) KDM4ERAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL4640186 0.79 KDM4E (0.40) KDM4ERAB9AKMT2ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3577118-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION GILEAD SCIENCES INC (US) 2024-09-04 EP disclosed
US-10442804-B2 Compounds for the treatment of hepatitis B virus infection GILEAD SCIENCES, INC. (US) 2019-10-15 US disclosed
US-20180251460-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION GILEAD SCIENCES, INC. 2018-09-06 US disclosed
WO-2018144605-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2018-08-09 WO disclosed
WO-2018144605-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2018-08-09 WO 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
WO-2006095020-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-09-14 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-20180251460-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION HAVCR2, PYGL, OAT KDM4E 4217/4885RAB9A 3145/4885KMT2A 4477/4885
US-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors REN, ACE, AGTR1 KDM4E 1612/4885RAB9A 646/4885KMT2A 2552/4885
US-10442804-B2 Compounds for the treatment of hepatitis B virus infection HAVCR2, PYGL, OAT KDM4E 4217/4885RAB9A 3145/4885KMT2A 4477/4885

“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.