SCHEMBL3699239

SCHEMBL3699239

O=C(NC(C(=O)NCCCN1CCOCC1)c1cccs1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
RAB9A P51151 2/20 0.41
GLA P06280 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
KMT2A Q03164 1/20 0.34
TACR2 P21452 1/20 0.34
TRPV4 Q9HBA0 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
SCHEMBL7490341 0.86 CCR2 (0.41) KDM4ENPSR1ALDH1A1TSHRKMT2A
SCHEMBL13944622 0.83 GAA (0.39) LMNARAB9AGLAGAAHTT
SCHEMBL3690516 0.83 KDM4E (0.38) TDP1HTTKDM4ENPSR1ALDH1A1
SCHEMBL3690130 0.81 TACR3 (0.40) RAB9AGAAKDM4ENPSR1ALDH1A1
SCHEMBL7495089 0.80 KDM4E (0.42) LMNARAB9AGAAHTTKDM4E
SCHEMBL7490618 0.76 NPC1 (0.40) LMNARAB9AHTTKDM4ENPSR1
SCHEMBL7494531 0.76 NPSR1 (0.46) LMNARAB9AHTTKDM4ENPSR1
SCHEMBL3693128 0.73 HDAC1 (0.45) LMNAGAAL3MBTL1HTTALDH1A1
SCHEMBL7493610 0.73 CNR2 (0.43)
SCHEMBL3690016 0.72 PKM (0.42) GAANPSR1TSHRSMN1; SMN2MAPK1

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 LMNA 1511/4885RAB9A 3638/4885GLA 3979/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 LMNA 1511/4885RAB9A 3638/4885GLA 3979/4885

“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.