SCHEMBL755949

SCHEMBL755949

COc1ccc2ccnc(C(=O)O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.57
LMNA P02545 1/20 0.56
KDM4E B2RXH2 6/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
DYRK1A Q13627 1/20 0.46
COPS5 Q92905 1/20 0.45
ASPH Q12797 1/20 0.45
KDM8 Q8N371 1/20 0.45
APAF1 O14727 1/20 0.45
NSD2 O96028 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45

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
SCHEMBL753230 0.88 LMNA (0.52) PLAULMNAKDM4EMAPK1NPSR1
SCHEMBL1202918 0.79 CASP3 (0.68) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL9575355 0.77 IGFBP3 (0.43) PLAULMNAKDM4ENPSR1ALDH1A1
SCHEMBL28608865 0.77 PLAU (0.60) PLAUKDM4ENPSR1ALDH1A1HPGD
SCHEMBL12055259 0.77 PLAU (0.59) PLAULMNAKDM4EMAPK1NPSR1
SCHEMBL4726584 0.76 IGFBP3 (0.47) PLAULMNAKDM4ENPSR1ALDH1A1
SCHEMBL18526638 0.76 RAB9A (0.40) PLAUKDM4ECYP1A2ASPHKDM8
SCHEMBL756471 0.76 KDM4E (0.47) PLAUKDM4ENPSR1ALDH1A1ASPH
SCHEMBL755956 0.76 KMO (0.42) PLAUKDM4EALDH1A1POLBHPGD
SCHEMBL13258529 0.76 PLAU (0.41) PLAUKDM4ENPSR1ALDH1A1CYP1A2

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 118 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-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 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-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-2009102694-A1 HETEROCYCLIC DERIVATIVES AS 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-2009102633-A1 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
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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 PLAU 1956/4885LMNA 3265/4885KDM4E 3740/4885
US-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PLAU 1814/4885LMNA 3159/4885KDM4E 3857/4885
US-20090233925-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PLAU 1814/4885LMNA 3159/4885KDM4E 3857/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP PLAU 2055/4885LMNA 679/4885KDM4E 3510/4885
US-20090202483-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PLAU 1814/4885LMNA 3159/4885KDM4E 3857/4885

“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.