SCHEMBL3684236

SCHEMBL3684236

O=C(c1nc2c(C(F)(F)F)cc(-c3csc(N4CCOCC4)n3)cn2c1Cl)N1CCC(c2cccc(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 6/20 0.43
AR P10275 5/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.36
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL3687719 0.88 SCD5 (0.45) SCD5ALDH1A1MAPTCNR1
SCHEMBL3686231 0.85 SCD5 (0.42) SCD5CNR1
SCHEMBL3692456 0.84 SCD5 (0.54) SCD5RAB9ANPC1CNR1
SCHEMBL3694950 0.82 SCD5 (0.46) SCD5RAB9ANPC1CNR1
SCHEMBL3690312 0.82 SCD5 (0.46) SCD5RAB9ANPC1CNR1
SCHEMBL3689646 0.82 SCD5 (0.46) SCD5RAB9ANPC1CNR1
SCHEMBL3685882 0.82 SCD5 (0.44) SCD5CNR1
SCHEMBL3694207 0.81 SCD5 (0.44) SCD5RAB9ANPC1CNR1
SCHEMBL3689990 0.81 KDM5A (0.45) SCD5CNR1
SCHEMBL3692042 0.80 SCD5 (0.43) SCD5RAB9ANPC1CYP2C19CYP2C9

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 7 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
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP 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
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 SCD5 2314/4885AR 3921/4885LMNA 1511/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 SCD5 2314/4885AR 3921/4885LMNA 1511/4885

“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.