SCHEMBL9853904

SCHEMBL9853904

CC(=O)c1cc(C#N)c(N)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NR4A1 P22736 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL1707041 0.84 KDM4E (0.44) KDM4EHTTALDH1A1GAAMEN1
SCHEMBL25873555 0.82 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2L3MBTL1ALDH1A1GAA
SCHEMBL5499599 0.81 GAA (0.50) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL6329387 0.79 GAA (0.43) KDM4ESMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL29246838 0.79 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL5526244 0.78 HTT (0.52) KDM4ESMN1; SMN2HTTALDH1A1GAA
SCHEMBL1706638 0.78 KDM4E (0.60) KDM4EL3MBTL1HTTALDH1A1GAA
SCHEMBL10505572 0.77 HTT (0.50) KDM4ESMN1; SMN2HTTALDH1A1GAA
SCHEMBL14736457 0.76 KDM4E (0.44) KDM4ESMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL9672741 0.76 SNCA (0.41) KDM4ESMN1; SMN2HTTALDH1A1GAA

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 8 patents. 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-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-09-29 US disclosed
US-7989471-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-08-02 US disclosed
US-20100240698-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2010-09-23 US disclosed
US-5071871-A Pharmaceutically useful benzo(β)pyranes and pyranopyridines SANDOZ LTD. (CH) 1991-12-10 US disclosed
EP-0439054-A1 Monoazo dyes, their preparation and use CASSELLA Aktiengesellschaft (DE) 1991-07-31 EP disclosed
US-RE32196-E PROPHYLACTIC CHEMOTHERAPY OF ALLERGIC CONDITIONS LILLY INDUSTRIES LIMITED (GB) 1986-07-01 US disclosed
EP-0038615-A2 Disperse monoazo dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-10-28 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-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus NR4A1, NR4A3, NR4A2 KDM4E 1695/4885SMN1; SMN2 3501/4885L3MBTL1 2121/4885
US-20100240698-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2B6, SRD5A1, NR5A2 KDM4E 3248/4885SMN1; SMN2 4189/4885L3MBTL1 2061/4885

“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.