SCHEMBL11977408

SCHEMBL11977408

Fc1ccccc1/C=N/Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
POLB P06746 2/20 0.57
GAA P10253 2/20 0.57
KDM4E B2RXH2 2/20 0.57
THRB P10828 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSP90AA1 P07900 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46

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
SCHEMBL2586091 0.81 GRIN2D (0.46) MAPTPOLBGAAKDM4ETHRB
SCHEMBL2586089 0.81 GRIN2D (0.46) MAPTPOLBGAAKDM4ETHRB
SCHEMBL27912097 0.80 MAPT (0.49) MAPTPOLBGAAKDM4ETHRB
SCHEMBL27912099 0.80 MAPT (0.49) MAPTPOLBGAAKDM4ETHRB
SCHEMBL19439625 0.79 CA2 (0.57) POLBGAAKDM4EALDH1A1CA1
SCHEMBL11977406 0.77 MAPT (0.57) MAPTPOLBGAAKDM4ETHRB
SCHEMBL8870004 0.77 MAPT (0.57) MAPTPOLBGAAKDM4ETHRB
SCHEMBL11977409 0.77 MAPT (0.59) MAPTPOLBGAAKDM4ETHRB
SCHEMBL13133350 0.77 MAPT (0.57) MAPTPOLBGAAKDM4ETHRB
Norletimol SCHEMBL31649324 0.77 MAPT (0.77) MAPTPOLBGAAKDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120209007-A9 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-08-16 US disclosed
US-20120209007-A9 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-08-16 US disclosed
US-20110319629-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-12-29 US disclosed
US-20110319629-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-12-29 US disclosed
US-20100249443-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-09-30 US disclosed
US-20100249443-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-09-30 US disclosed
WO-2010093336-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-08-19 WO disclosed
WO-2010093327-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-08-19 WO disclosed
US-20100185000-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-22 US disclosed
US-20100185000-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-07-22 US disclosed
WO-2009041919-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-04-02 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 (4 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-20100185000-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES ABL1, CD59, TDO2 MAPT 3880/4885POLB 3845/4885GAA 4080/4885
US-20110319629-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES ABL1, TYR, CD59 MAPT 3932/4885POLB 3975/4885GAA 4159/4885
US-20100249443-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES ABL1, CD59, TDO2 MAPT 3880/4885POLB 3845/4885GAA 4080/4885
US-20120209007-A9 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES ABL1, TYR, CD59 MAPT 3932/4885POLB 3975/4885GAA 4159/4885

“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.