SCHEMBL2133266

SCHEMBL2133266

CCc1nc2ccc(F)cc2nc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 2/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
DHODH Q02127 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MPO P05164 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK10 P53779 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL30681903 1.00 KDM4E (0.53) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL10851061 0.81 KDM4E (0.69) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL10175661 0.77 KDM4E (0.46) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL20248282 0.77 KDM4E (0.42) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL2610872 0.77 KDM4E (0.58) KDM4ENPC1RAB9AKMT2AMEN1
Formic Acid SCHEMBL27894120 0.76 NPC1 (0.44) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL2021348 0.76 NPC1 (0.43) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL7934288 0.74 KDM4E (0.40) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL2025805 0.73 TSHR (0.53) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL20248268 0.73 KDM4E (0.39) KDM4ENPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493506-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-11-15 US disclosed
US-9493506-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-11-15 US disclosed
US-9493506-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-11-15 US disclosed
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES 2014-09-25 US disclosed
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES 2014-09-25 US disclosed
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES 2014-09-25 US disclosed
US-8748374-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2014-06-10 US disclosed
US-8748374-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2014-06-10 US disclosed
US-8748374-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2014-06-10 US disclosed
EP-2576564-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Abbvie Inc. (US) 2013-04-10 EP disclosed
US-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
WO-2011156337-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 2011-12-15 WO disclosed
WO-2011156337-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 2011-12-15 WO 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-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 KDM4E 2948/4885NPC1 100/4885RAB9A 3337/4885
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 KDM4E 2948/4885NPC1 100/4885RAB9A 3337/4885

“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.