SCHEMBL1707041

SCHEMBL1707041

N#Cc1cc(C(=O)O)c(O)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 2/20 0.44
KDR P35968 2/20 0.44
KMT2A Q03164 2/20 0.44
TNF P01375 1/20 0.44
HSPD1 P10809 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
BRCA1 P38398 1/20 0.44
RECQL P46063 1/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL9853904 0.84 KDM4E (0.43) KDM4EALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL5499599 0.80 GAA (0.50) KDM4EALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL10658354 0.78 CA1 (0.48) KDM4EALDH1A1HSD17B10CASP1XDH
SCHEMBL9672741 0.78 SNCA (0.41) KDM4EALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL2138202 0.78 ALDH1A1 (0.56) KDM4EALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL9721882 0.76 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL1706638 0.76 KDM4E (0.60) KDM4EALDH1A1MAPTHSD17B10MEN1
SCHEMBL30121151 0.76 KMT2A (0.54) KDM4EALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL3675267 0.76 KMT2A (0.54) KDM4EALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL29214415 0.76 KDM4E (0.54) KDM4EALDH1A1CYP3A4MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754105-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2014-06-17 US disclosed
US-8754105-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2014-06-17 US disclosed
EP-1912996-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN R & D IRELAND (IE) 2012-06-20 EP disclosed
EP-2247579-B1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNOMODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS Bayer Pharma AG (DE) 2012-04-18 EP disclosed
EP-2247579-B1 SULPHOXIMINE-SUBSTITUTED QUINAZOLINE DERIVATIVES AS IMMUNOMODULATORS, THEIR PREPARATION AND USE AS MEDICAMENTS Bayer Pharma AG (DE) 2012-04-18 EP disclosed
US-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-09-29 US disclosed
US-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-09-29 US disclosed
US-8008251-B2 Bioavailable formulations with ritonavir; potency, decreased cytotoxicity, improved pharmacokinetics; N-[18-[2-(4-isopropylthiazol-2-yl)-7-methoxyquinolin-4-yl-oxy]-2,15-dioxo- -3,14,16-triazatricyclo[14.3.0.0.sup.4,6]nonadec-7-ene-4-carbonyl]-(cyclopropyl)sulfonamide TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-30 US disclosed
US-8008251-B2 Bioavailable formulations with ritonavir; potency, decreased cytotoxicity, improved pharmacokinetics; N-[18-[2-(4-isopropylthiazol-2-yl)-7-methoxyquinolin-4-yl-oxy]-2,15-dioxo- -3,14,16-triazatricyclo[14.3.0.0.sup.4,6]nonadec-7-ene-4-carbonyl]-(cyclopropyl)sulfonamide TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-30 US disclosed
US-7989471-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-02 US disclosed
US-20080200503-A1 Macrocylic Inhibitors Of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2008-08-21 US disclosed
WO-2008096002-A1 HCV INHIBITING MACROCYCLIC PHOSPHONATES AND AMIDOPHOSPHATES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-08-14 WO disclosed
WO-2007014919-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014920-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014918-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 EP disclosed
EP-0251417-B1 4-(AROYLAMINO) PIPERIDINEBUTANAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-04-14 EP disclosed
US-4990521-A Treating diarhea JANSSEN PHARMACEUTICA (BE) 1991-02-05 US disclosed
CN-87104641-A 4-(aromatic acylamino) piperidines butyramide derivative 1988-02-03 CN disclosed
EP-0251417-A2 4-(aroylamino) piperidinebutanamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-01-07 EP 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-20080200503-A1 Macrocylic Inhibitors Of Hepatitis C Virus HAVCR2, HCCS, CYP7A1 KDM4E 3172/4885ALDH1A1 1562/4885CYP3A4 6/4885
US-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus NR4A1, NR4A3, NR4A2 KDM4E 1695/4885ALDH1A1 1595/4885CYP3A4 16/4885

“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.