SCHEMBL3691963

SCHEMBL3691963

O=C(O)c1cc2cc(-c3ccccc3)cc(Cl)c2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 2/20 0.60
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
KMT2A Q03164 1/20 0.50
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
DAO P14920 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
SRD5A2 P31213 1/20 0.47
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
FBP1 P09467 1/20 0.44
APEX1 P27695 1/20 0.42
FTO Q9C0B1 1/20 0.42
CTRC Q99895 1/20 0.41
DHODH Q02127 1/20 0.41

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
SCHEMBL3696866 0.81 DAO (0.44) RHEBHPGDHSD17B10ALDH1A1MEN1
SCHEMBL3682594 0.80 DAO (0.43) RHEBHPGDHSD17B10ALDH1A1MEN1
SCHEMBL3691268 0.79 GRM2 (0.40) RHEBHPGDALDH1A1DAOKDM4E
SCHEMBL3534704 0.78 DAO (0.49) HPGDHSD17B10ALDH1A1MEN1USP2
SCHEMBL3274871 0.78 HRH4 (0.56) RHEBHPGDHSD17B10ALDH1A1MEN1
SCHEMBL3089645 0.77 HPGD (0.53) HPGDHSD17B10ALDH1A1MEN1USP2
SCHEMBL27519330 0.77 SMAD3 (0.50) RHEBHPGDHSD17B10ALDH1A1MEN1
SCHEMBL1144741 0.77 HPGD (0.60) HPGDHSD17B10ALDH1A1MEN1USP2
SCHEMBL3543391 0.76 DAO (0.46) HPGDHSD17B10ALDH1A1MEN1USP2
SCHEMBL15344006 0.76 HRH4 (0.59) HPGDHSD17B10ALDH1A1MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
CN-101842098-A Nitrogen-containing bicyclic chemical entities for the treatment of viral infections GENELABS TECH INC 2010-09-22 CN disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 RHEB 2717/4885HPGD 446/4885HSD17B10 1246/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 RHEB 2717/4885HPGD 446/4885HSD17B10 1246/4885

“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.