SCHEMBL6913447

SCHEMBL6913447

COc1ccc2c(OC)cc(-c3ccccc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
ALDH1A1 P00352 2/20 1.00
MEN1 O00255 1/20 0.81
KMT2A Q03164 1/20 0.81
LMNA P02545 2/20 0.76
HPGD P15428 2/20 0.76
MAPT P10636 1/20 0.76
HTT P42858 1/20 0.76
TACR3 P29371 8/20 0.61
ACACA Q13085 1/20 0.58
ADORA1 P30542 2/20 0.57
PLA2G2A P14555 1/20 0.54
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
TDO2 P48775 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51

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
SCHEMBL15579402 0.91 KDM4E (0.83) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13757621 0.89 SMN1; SMN2 (1.00) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8887700 0.88 SMN1; SMN2 (0.78) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7920082 0.88 KDM4E (0.78) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8349539 0.88 KDM4E (0.78) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8381387 0.88 KDM4E (0.78) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28505794 0.86 ACACA (0.78) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL955714 0.85 SMN1; SMN2 (1.00) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL15579400 0.85 KDM4E (0.74) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13350452 0.85 KDM4E (0.74) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
EP-2265606-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-10-21 EP disclosed
US-20150005342-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-01 US disclosed
US-8674088-B2 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
EP-2316839-B1 ANTIVIRAL HETEROCYCLIC COMPOUNDS HAVING PHOSPHONATE GROUPS GILEAD SCIENCES INC (US) 2014-03-12 EP disclosed
US-20130267713-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-10-10 US disclosed
US-8507722-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 US disclosed
EP-1687018-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-01-25 EP disclosed
WO-2006130686-A2 HCV PROTEASE INHIBITORS IN COMBINATION WITH FOOD SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130607-A2 CONTROLLED-RELEASE FORMULATION USEFUL FOR TREATING DISORDERS ASSOCIATED WITH HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130687-A2 LIVER/PLASMA CONCENTRATION RATIO FOR DOSING HEPATITIS C VIRUS PROTEASE INHIBITOR SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130552-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006020276-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-02-23 WO disclosed
WO-2005051980-A1 DEPEPTIDIZED INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE SCHERING CORPORATION (US) 2005-06-09 WO disclosed
WO-2005046712-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-26 WO disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003053349-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 KDM4E 2261/4885SMN1; SMN2 4765/4885ALDH1A1 769/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 KDM4E 2261/4885SMN1; SMN2 4765/4885ALDH1A1 769/4885
US-20130267713-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 KDM4E 2261/4885SMN1; SMN2 4765/4885ALDH1A1 769/4885

“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.