SCHEMBL890168

SCHEMBL890168

Cc1ccc(-n2ccc(C)cc2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.52
ELANE P08246 1/20 0.52
CTSG P08311 1/20 0.52
CMA1 P23946 1/20 0.52
CTRC Q99895 1/20 0.52
ALDH1A1 P00352 5/20 0.48
HTT P42858 2/20 0.48
ALOX15 P16050 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MGLL Q99685 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
BLM P54132 1/20 0.42
COMT P21964 2/20 0.41
RGS4 P49798 1/20 0.40
RGS8 P57771 1/20 0.40
HCAR1 Q9BXC0 1/20 0.39

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
SCHEMBL2498016 0.86 MCHR1 (0.43) ALDH1A1HTTALOX15ATMMAPT
SCHEMBL18011087 0.86 ALDH1A1 (0.53) F2ELANECTSGCMA1CTRC
SCHEMBL1753473 0.86 ALDH1A1 (0.41) F2ELANECTSGCMA1CTRC
SCHEMBL7861231 0.85 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL7765437 0.83 ALDH1A1 (0.70) F2ELANECTSGCMA1CTRC
SCHEMBL12153690 0.83 ALDH1A1 (0.50) ALDH1A1HTTATMSMN1; SMN2MGLL
SCHEMBL10140954 0.83 LMNA (0.47) ALDH1A1HTTALOX15ATMSMN1; SMN2
SCHEMBL12927339 0.82 F2 (0.47) F2ELANECTSGCMA1CTRC
SCHEMBL12438375 0.79 F2 (0.44) F2ELANECTSGCMA1CTRC
SCHEMBL12680067 0.77 THRB (0.44) F2ELANECTSGCMA1CTRC

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-8933110-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8927709-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-8822700-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8815928-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8785487-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8653070-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-7875633-B2 4-[(4-Chlorobenzyl)oxy]-1-(4-[(1E)-3-(methylamino)-1-propen-1-yl]phenyl)pyridin-2(1H)-one; remedy for metabolic disorders such as obesity, diabetes, hormone disorder; cardiovascular disorders (stenocardia, acute or congestive heart failure); nervous system disorders (bulimia, anxiety, epilepsy etc.) BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-25 US disclosed
WO-2010135470-A1 PIFENIDONE DERIVATIVES FOR TREATING BRONCHIAL ASTHMA INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2009149188-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-10 WO disclosed
US-20090137587-A1 Phenylpyridone Derivative MSD K.K. (JP) 2009-05-28 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 (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-20090137587-A1 Phenylpyridone Derivative NAT1, NPR1, PC F2 1126/4885ELANE 2155/4885CTSG 3881/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 F2 2757/4885ELANE 1168/4885CTSG 456/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 F2 2572/4885ELANE 1151/4885CTSG 505/4885

“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.