SCHEMBL213505

SCHEMBL213505

CO/N=C/c1cnn(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
SRC P12931 3/20 0.38
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
GSK3B P49841 1/20 0.34
MET P08581 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HDAC3 O15379 1/20 0.33
CASP3 P42574 1/20 0.33
KMT2A Q03164 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MAPK1 P28482 1/20 0.33
MAOA P21397 1/20 0.32

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
SCHEMBL213506 1.00 GAA (0.40) GAACHRM2CHRM5CHRM1SRC
SCHEMBL213653 0.81 HDAC1 (0.34) HDAC1HDAC2GSK3BMETMAPT
SCHEMBL213652 0.81 HDAC1 (0.34) HDAC1HDAC2GSK3BMETMAPT
SCHEMBL214217 0.80 HDAC1 (0.33) HDAC1HDAC2GSK3BMETMAPT
SCHEMBL1253531 0.79 NPC1 (0.39) HDAC1HDAC2GSK3BMETMAPT
SCHEMBL214476 0.78 MAPT (0.43) GAAHDAC1HDAC2GSK3BMAPT
SCHEMBL214475 0.78 MAPT (0.43) GAAHDAC1HDAC2GSK3BMAPT
SCHEMBL25153725 0.77 MAPT (0.46) GAASRCHDAC1HDAC2MAPT
SCHEMBL212232 0.76 MET (0.35) HDAC1HDAC2GSK3BMET
SCHEMBL1577120 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077941-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2012-03-29 US claimed
US-8088868-B2 oximation of cojugated homopolymers formed by addtion polymerization of conjugated diene monomer in the presence lanthanide copmpounds as polymerization catalysts; polymers used in the manufacture of tires having reduced hysteresis BRIDGESTONE CORPORATION (JP) 2012-01-03 US claimed
US-20080146745-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2008-06-19 US claimed
US-20220386614-A1 OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME NIHON NOHYAKU CO., LTD. (JP) 2022-12-08 US disclosed
US-8541509-B2 Polymers functionalized with protected oxime compounds BRIDGESTONE CORPORATION (JP) 2013-09-24 US disclosed
US-20120077941-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2012-03-29 US disclosed
US-8088868-B2 oximation of cojugated homopolymers formed by addtion polymerization of conjugated diene monomer in the presence lanthanide copmpounds as polymerization catalysts; polymers used in the manufacture of tires having reduced hysteresis BRIDGESTONE CORPORATION (JP) 2012-01-03 US disclosed
US-20080146745-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2008-06-19 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 (1 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-20220386614-A1 OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME BROX, CYP51A1, TBCD GAA 1330/4885CHRM2 4336/4885CHRM5 4499/4885

“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.