SCHEMBL7499347

SCHEMBL7499347

O=C(NCCc1cccc(F)c1)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.41
THRB P10828 3/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 1/20 0.39
CDK8 P49336 2/20 0.38
CNR1 P21554 2/20 0.37
PKM P14618 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
BLM P54132 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
HDAC4 P56524 1/20 0.34
NAMPT P43490 1/20 0.34
SNCA P37840 1/20 0.34

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
SCHEMBL3694168 0.92 PKM (0.41) PKMRXFP1LMNAADORA2AADORA1
SCHEMBL7492052 0.91 CNR1 (0.38) THRBTP53HIF1ACNR1PKM
SCHEMBL7500321 0.86 HIF1A (0.53) TP53HIF1ACNR1LMNAPOLB
SCHEMBL3705876 0.85 ALDH1A1 (0.39) HIF1APKMRXFP1
SCHEMBL3699438 0.84 LMNA (0.40) CNR1LMNAPOLB
SCHEMBL3704942 0.84 ALDH1A1 (0.42) THRBTP53PKMRXFP1LMNA
SCHEMBL3694838 0.84 ADORA2A (0.41) HIF1APKMLMNAPOLBADORA2A
SCHEMBL3694094 0.81 HIF1A (0.42) TP53HIF1ACNR1PKMRXFP1
SCHEMBL7494471 0.80 ALDH1A1 (0.38) PKMRXFP1POLB
SCHEMBL3699956 0.80 SMN1; SMN2 (0.39) CNR1LMNA

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
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 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

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 ABCB1 721/4885THRB 3932/4885TP53 768/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 ABCB1 721/4885THRB 3932/4885TP53 768/4885

“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.