SCHEMBL3700188

SCHEMBL3700188

O=C(NCC1CCCCO1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.46
HSD17B10 Q99714 4/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
ESR2 Q92731 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
KMT2A Q03164 7/20 0.44
MEN1 O00255 5/20 0.44
ATM Q13315 2/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.40

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
SCHEMBL3705906 0.98 HPGD (0.48) HPGDHSD17B10KDM4EALDH1A1MAPT
SCHEMBL3700869 0.89 ALDH1A1 (0.41) HPGDHSD17B10KDM4EALDH1A1MAPT
SCHEMBL3700722 0.88 PKM (0.41) HPGDHSD17B10KDM4EALDH1A1KMT2A
SCHEMBL7493610 0.86 CNR2 (0.43) PKMGLSCYP1A2CYP2C19
SCHEMBL7490436 0.81 ALDH1A1 (0.48) HPGDHSD17B10KDM4EALDH1A1MAPT
SCHEMBL3696233 0.80 PKM (0.49) HPGDHSD17B10KDM4EALDH1A1MAPT
SCHEMBL3703771 0.80 SCD5 (0.47) HPGDL3MBTL1KMT2AMEN1PKM
SCHEMBL7495068 0.79 PKM (0.46) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3684339 0.79 ALDH1A1 (0.48) HPGDHSD17B10KDM4EALDH1A1MAPT
SCHEMBL3702560 0.79 ADORA2A (0.46) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1

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-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

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 HPGD 446/4885HSD17B10 1246/4885KDM4E 2131/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 HPGD 446/4885HSD17B10 1246/4885KDM4E 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.