SCHEMBL3064176

SCHEMBL3064176

COC(=O)c1nc2c(C(F)(F)F)cc(Br)cn2c1C=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.39
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CFTR P13569 3/20 0.34
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.32
RBP4 P02753 3/20 0.31
LMNA P02545 1/20 0.31
LDHA P00338 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SOS1 Q07889 1/20 0.30

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
SCHEMBL3690213 0.85 NOTUM (0.44) NOTUMALDH1A1MEN1MAPTKMT2A
SCHEMBL13229138 0.85 EPRS1 (0.34) CFTR
SCHEMBL1583159 0.83 NOTUM (0.40) NOTUMALDH1A1MEN1MAPTKMT2A
SCHEMBL3784645 0.80 ERN1 (0.35) ALDH1A1CFTRKDM4EHSD17B10LDHA
SCHEMBL3689295 0.80 MEN1 (0.42) NOTUMALDH1A1MEN1MAPTKMT2A
SCHEMBL3053589 0.74 NOTUM (0.37) NOTUMALDH1A1MEN1MAPTKMT2A
SCHEMBL1583462 0.74 NOTUM (0.42) NOTUMALDH1A1MEN1MAPTKMT2A
SCHEMBL13090307 0.73 POLB (0.40) ALDH1A1MAPTKDM4E
SCHEMBL3689267 0.72 PTGER1 (0.36) CFTR
SCHEMBL1583390 0.72 RXFP1 (0.47) NOTUMALDH1A1MEN1MAPTKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
WO-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 NOTUM 1173/4885ALDH1A1 1337/4885MEN1 4257/4885
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents ZC3HAV1, MAVS, EIF2AK2 NOTUM 3110/4885ALDH1A1 1772/4885MEN1 4774/4885

“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.