SCHEMBL883113

SCHEMBL883113

Brc1ccc([C@@H]2C[C@H]2c2ccc(Br)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.68
MAOB P27338 5/20 0.68
KCNH2 Q12809 2/20 0.68
RCOR1 Q9UKL0 2/20 0.68
KDM1B Q8NB78 1/20 0.68
HTR2C P28335 2/20 0.58
HTR2B P41595 2/20 0.58
CYP2A6 P11509 1/20 0.47
MAOA P21397 2/20 0.46
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL12295868 1.00 KDM1A (0.68) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL22335096 0.90 KDM1A (0.58) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL8034301 0.88 KDM1A (0.56) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL24658830 0.83 KDM1A (0.62) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL12714992 0.83 KDM1A (0.62) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL15606869 0.81 KDM1A (0.60) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL17403045 0.81 KDM1A (0.60) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL24658449 0.81 KDM1A (0.60) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL12875752 0.81 KDM1A (0.60) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL16019172 0.81 KDM1A (1.00) KDM1AMAOBKCNH2RCOR1KDM1B

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
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
EP-2414350-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-12 EP disclosed
US-8796466-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-05 US disclosed
WO-2012039717-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
WO-2010117635-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 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 (5 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS KDM1A 3627/4885MAOB 3481/4885KCNH2 4814/4885
US-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS KDM1A 3627/4885MAOB 3481/4885KCNH2 4814/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 KDM1A 3976/4885MAOB 3366/4885KCNH2 4698/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 KDM1A 3976/4885MAOB 3366/4885KCNH2 4698/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS KDM1A 4264/4885MAOB 3749/4885KCNH2 4804/4885

“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.