SCHEMBL754063

SCHEMBL754063

O=C(O)c1ncc(Cl)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
PLAU P00749 4/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HAVCR2 Q8TDQ0 1/20 0.41
CLK1 P49759 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK2 Q92630 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41

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
SCHEMBL31410088 0.83 PLAU (0.45) ATMPLAUALDH1A1KDM4EPOLB
SCHEMBL29070876 0.79 KDM4E (0.47) PLAUALDH1A1KDM4EPOLBKMT2A
SCHEMBL7279023 0.78 KDM4E (0.47) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL754068 0.78 CYP1A2 (0.46) PLAUALDH1A1KDM4EKMT2AMEN1
SCHEMBL754237 0.77 PLAU (0.46) PLAUALDH1A1KDM4EKMT2AMEN1
SCHEMBL7392181 0.77 PLAU (0.46) PLAUALDH1A1KDM4EKMT2AMEN1
SCHEMBL20221437 0.76 POLB (0.51) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL28584809 0.75 ALDH1A1 (0.49) PLAUALDH1A1KDM4EPOLBHTT
SCHEMBL14641674 0.74 PTGDR2 (0.46) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL25003248 0.73 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
EP-2499115-B1 PROCESS FOR PREPARING HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2016-07-27 EP disclosed
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 US disclosed
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 US disclosed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 US disclosed
US-20090233925-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-09-17 US disclosed
US-20090233925-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-09-17 US disclosed
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2009102568-A1 CONFORMATIONALLY RESTRICTED BIPHENYL DERIVATIVES FOR USE AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2009102694-A1 HETEROCYCLIC DERIVATIVES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20090202483-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202483-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 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 (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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL ATM 3658/4885PLAU 1956/4885ALDH1A1 1107/4885
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ATM 3538/4885PLAU 1814/4885ALDH1A1 1144/4885
US-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ATM 3538/4885PLAU 1814/4885ALDH1A1 1144/4885
US-20090233925-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ATM 3538/4885PLAU 1814/4885ALDH1A1 1144/4885
US-20090202483-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ATM 3538/4885PLAU 1814/4885ALDH1A1 1144/4885

“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.