SCHEMBL3390902

SCHEMBL3390902

O=C(CCC1OCCCO1)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
MPI P34949 1/20 0.49
GSK3B P49841 2/20 0.46
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
HPGD P15428 1/20 0.43
CES2 O00748 1/20 0.42

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
SCHEMBL3392114 0.93 KMT2A (0.51) ALDH1A1LMNAMAPTKMT2AMPI
SCHEMBL21747253 0.84 NPC1 (0.55) ALDH1A1LMNAKMT2AGSK3BHPGD
SCHEMBL3215720 0.84 RAB9A (0.53) ALDH1A1KMT2ACES2CES1MEN1
SCHEMBL21747244 0.84 KMT2A (0.50) ALDH1A1MAPTKMT2AGSK3BCES2
SCHEMBL2207700 0.83 KDM4E (0.51) ALDH1A1LMNAMAPTKMT2AHDAC1
SCHEMBL1670496 0.80 MAPT (0.53) ALDH1A1LMNAMAPTKMT2AGSK3B
SCHEMBL3303126 0.80 GSK3B (0.49) ALDH1A1GSK3BHSD11B1
SCHEMBL7284408 0.77 NPC1 (0.54) ALDH1A1LMNAMAPTKMT2AGSK3B
SCHEMBL7210582 0.77 NPC1 (0.56) KMT2AMEN1SMN1; SMN2HSD11B1KCNH2
SCHEMBL7287642 0.77 KMT2A (0.53) ALDH1A1MAPTKMT2AGSK3BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846023-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
US-8846023-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
US-8574563-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-05 US disclosed
US-8574563-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-05 US disclosed
US-20130004457-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-03 US disclosed
US-20130004457-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-03 US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
EP-2242752-B1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-08-08 EP disclosed
EP-2242752-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-10-27 EP disclosed
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 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 (2 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-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885LMNA 3159/4885MAPT 4065/4885
US-20130004457-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885LMNA 3159/4885MAPT 4065/4885

“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.