SCHEMBL3690063

SCHEMBL3690063

O=C(c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl)N1CCC(Cc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 3/20 0.45
SCD O00767 2/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTR2B P41595 2/20 0.44
MAPK14 Q16539 2/20 0.44
HDAC4 P56524 1/20 0.44
SPR P35270 1/20 0.42
RBP4 P02753 1/20 0.41
RIPK1 Q13546 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TACR3 P29371 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
SCHEMBL3688433 0.94 SCD5 (0.52) SCD5SCDCYP2C9CYP2C19HTR2B
SCHEMBL3687507 0.87 SCD5 (0.53) SCD5SCDSPRRBP4ALDH1A1
SCHEMBL3695353 0.86 ALDH1A1 (0.52) CYP2C19MEN1KMT2AKDM4EALDH1A1
SCHEMBL3689454 0.86 SCD5 (0.47) SCD5SCDRBP4ALDH1A1
SCHEMBL3683993 0.84 ALDH1A1 (0.49) SCD5SCDALDH1A1LMNAMAPT
SCHEMBL3689489 0.84 MAPT (0.51) SCD5SCDHDAC4MEN1KMT2A
SCHEMBL3788696 0.83 SCD5 (0.38) SCD5SCDRBP4KDM4EALDH1A1
SCHEMBL3690897 0.83 ALDH1A1 (0.46) HDAC4RBP4KDM4EALDH1A1LMNA
SCHEMBL3694395 0.82 SCD5 (0.45) SCD5RBP4ALDH1A1LMNA
SCHEMBL3693859 0.81 P2RX7 (0.43) SCD5SCDKDM4EALDH1A1LMNA

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 2314/4885SCD 1226/4885CYP2C9 452/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 SCD5 2314/4885SCD 1226/4885CYP2C9 452/4885

“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.