SCHEMBL7495659

SCHEMBL7495659

O=C(NCc1cccs1)c1nc2c(C(F)(F)F)cc(-c3cccnc3)cn2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.44
PKM P14618 1/20 0.43
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MARK3 P27448 1/20 0.39
IDH1 O75874 1/20 0.39
KMT2A Q03164 4/20 0.39
F2 P00734 3/20 0.39
KLKB1 P03952 1/20 0.39
MEN1 O00255 2/20 0.39
CPT1A P50416 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3699022 0.92 PKM (0.45) RXFP1PKMHPGDRAB9APOLB
SCHEMBL7491448 0.91 PKM (0.46) RXFP1PKMHPGDRAB9APOLB
SCHEMBL7487587 0.91 SMN1; SMN2 (0.48) RXFP1PKMHPGDRAB9APOLB
SCHEMBL7491373 0.88 PKM (0.46) PKMHPGDRAB9APOLBLMNA
SCHEMBL3709471 0.87 PKM (0.44) RXFP1PKMHPGDRAB9APOLB
SCHEMBL3699404 0.87 MAPT (0.47) PKMHPGDRAB9APOLBLMNA
SCHEMBL3705618 0.87 PKM (0.47) PKMHPGDRAB9APOLBLMNA
SCHEMBL3694869 0.87 PKM (0.43) RXFP1PKMHPGDRAB9APOLB
SCHEMBL7490627 0.86 PKM (0.45) RXFP1PKMHPGDRAB9APOLB
SCHEMBL3693247 0.86 THRB (0.43) RXFP1PKMHPGDRAB9APOLB

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
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 RXFP1 4676/4885PKM 2286/4885HPGD 446/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 RXFP1 4676/4885PKM 2286/4885HPGD 446/4885

“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.