SCHEMBL3699486

SCHEMBL3699486

O=C(NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
GRM5 P41594 1/20 0.35
EPHX1 P07099 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
ERN1 O75460 1/20 0.34
FAAH O00519 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DRD3 P35462 1/20 0.34
METTL3 Q86U44 1/20 0.34
MGLL Q99685 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3687315 0.88 PTGDR2 (0.37) ALDH1A1HTTKDM4EMETTL3MGLL
SCHEMBL3790494 0.86 KDM4E (0.47) HSD17B10ALDH1A1KDM4EMETTL3MAPT
SCHEMBL3708239 0.85 GLS (0.40) HSD17B10ALDH1A1ERN1KDM4EMETTL3
SCHEMBL3696257 0.84 ALDH1A1 (0.40) HSD17B10ALDH1A1KDM4EMAPT
SCHEMBL3790970 0.82 ALDH1A1 (0.46) ALDH1A1
SCHEMBL3787672 0.81 LMNA (0.40) HSD17B10ALDH1A1KDM4EMETTL3
SCHEMBL13228729 0.80 KMT2A (0.42) HSD17B10ALDH1A1ERN1KDM4E
SCHEMBL3687351 0.80 ERN1 (0.40) ALDH1A1ERN1KDM4E
SCHEMBL3792676 0.80 MALT1 (0.37) HSD17B10ALDH1A1ERN1KDM4EMETTL3
SCHEMBL3691436 0.79 HPGD (0.52) HSD17B10ALDH1A1KDM4E

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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
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
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 US 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 HSD17B10 1246/4885GRM5 3710/4885EPHX1 1637/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 HSD17B10 1246/4885GRM5 3710/4885EPHX1 1637/4885

“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.