SCHEMBL3689337

SCHEMBL3689337

C1=C(c2ccco2)CNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
POLB P06746 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 4/20 0.39
HSD17B10 Q99714 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALOX15 P16050 3/20 0.39
PKM P14618 2/20 0.39
CASP1 P29466 2/20 0.39
PTPN7 P35236 2/20 0.39
RECQL P46063 2/20 0.39
BLM P54132 2/20 0.39
CASP7 P55210 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 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
SCHEMBL4790082 0.81 SIGMAR1 (0.53) ALDH1A1KDM4EMAPTHSD17B10ALOX15
SCHEMBL4790596 0.71 ALDH1A1 (0.37) ALDH1A1POLBKDM4EHPGDMAPT
Hydrochloric Acid SCHEMBL9934109 0.67 HTR2C (0.49) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL1799678 0.67 ALDH1A1 (0.63) ALDH1A1POLBKDM4EHPGDMAPT
SCHEMBL2173351 0.66 SIGMAR1 (0.65) ALDH1A1KDM4EMAPTHSD17B10ALOX15
SCHEMBL28770584 0.65 ALDH1A1 (0.40) ALDH1A1POLBKDM4EHPGDMAPT
SCHEMBL21533809 0.65 KDM4E (0.40) ALDH1A1POLBKDM4EHPGDMAPT
SCHEMBL9825171 0.64 ALDH1A1 (0.39) ALDH1A1POLBKDM4EHPGDMAPT
SCHEMBL10230468 0.64 ALDH1A1 (0.39) ALDH1A1POLBKDM4EHPGDMAPT
SCHEMBL3683710 0.64 SIGMAR1 (0.34) MAPTLMNASIGMAR1HTR2CCHRM2

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 4 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
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 ALDH1A1 1337/4885POLB 1134/4885KDM4E 2131/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 ALDH1A1 1337/4885POLB 1134/4885KDM4E 2131/4885

“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.