SCHEMBL3790494

SCHEMBL3790494

O=C(NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
METTL3 Q86U44 3/20 0.41
EPHX2 P34913 3/20 0.40
MAP3K5 Q99683 1/20 0.40
MAPT P10636 1/20 0.39
HDAC2 Q92769 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GAA P10253 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL3790522 0.92 MAPT (0.41) KDM4EHPGDMAP3K5MAPTHDAC2
SCHEMBL3708239 0.88 GLS (0.40) KDM4EHPGDMETTL3ALDH1A1TP53
SCHEMBL3696257 0.87 ALDH1A1 (0.40) KDM4EHPGDMAPTALDH1A1HSD17B10
SCHEMBL3699486 0.86 HSD17B10 (0.38) KDM4EMETTL3MAPTALDH1A1HSD17B10
SCHEMBL3687315 0.84 PTGDR2 (0.37) KDM4EHPGDMETTL3HDAC2ALDH1A1
SCHEMBL3790970 0.84 ALDH1A1 (0.46) HPGDALDH1A1TP53GAA
SCHEMBL3692029 0.83 HIF1A (0.40) KDM4EHPGDMETTL3EPHX2TP53
SCHEMBL3787672 0.83 LMNA (0.40) KDM4EHPGDMETTL3ALDH1A1HSD17B10
SCHEMBL13228729 0.83 KMT2A (0.42) KDM4EHPGDEPHX2ALDH1A1HSD17B10
SCHEMBL3687351 0.83 ERN1 (0.40) KDM4EALDH1A1

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
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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 (1 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 KDM4E 2131/4885HPGD 446/4885METTL3 780/4885

“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.