SCHEMBL1852011

SCHEMBL1852011

O=C(CBr)c1cc(F)cc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.52
PTPN1 P18031 6/20 0.52
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
TPMT P51580 1/20 0.39
GPR139 Q6DWJ6 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.36
METAP2 P50579 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
SCHEMBL1198757 0.86 GSK3B (0.61) GSK3BPTPN1TPMTRAB9A
SCHEMBL976560 0.86 PTPN1 (0.61) GSK3BPTPN1CES2CES1
SCHEMBL3713101 0.82 CES2 (0.41) TAS1R3TAS1R1TAS1R2CES2CES1
SCHEMBL30512212 0.81 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2CES2CES1
SCHEMBL12780435 0.81 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2CES2CES1
SCHEMBL3147239 0.79 MEN1 (0.42) GSK3BTAS1R3TAS1R1TAS1R2CES2
SCHEMBL5190490 0.78 PTPN1 (0.53) GSK3BPTPN1CES2CES1
SCHEMBL5050069 0.78 GSK3B (0.53) GSK3BPTPN1TPMTGPR139RAB9A
SCHEMBL12876821 0.77 GSK3B (0.52) GSK3BPTPN1CES2CES1TPMT
SCHEMBL766063 0.77 GSK3B (0.56) GSK3BPTPN1CES2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-9802927-B2 Oxadiazine compounds and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
US-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-03-09 US disclosed
WO-2016201168-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMCEUTICALS INC. (US) 2016-12-15 WO disclosed
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20170066753-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC GSK3B 242/4885PTPN1 2744/4885TAS1R3 4860/4885
US-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 GSK3B 3757/4885PTPN1 1300/4885TAS1R3 1244/4885

“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.