SCHEMBL26328836

SCHEMBL26328836

Cc1nnc(COCc2ccccc2)nn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
VCP P55072 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
IDO1 P14902 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
APP P05067 1/20 0.38
AGXT P21549 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL25440068 0.80 TSHR (0.52) TSHRL3MBTL1VCPSMN1; SMN2HTT
SCHEMBL5311581 0.76 TSHR (1.00) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL27380 0.76 TSHR (1.00) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL15323583 0.75 CALM1 (0.48) TSHRL3MBTL1MAPK1TDP1SMN1; SMN2
P-Xylene SCHEMBL19206957 0.74 TSHR (0.75) TSHRL3MBTL1MAPTMAPK1TDP1
O-Xylene SCHEMBL19206943 0.74 TSHR (0.75) TSHRL3MBTL1MAPTMAPK1TDP1
Toluene SCHEMBL19206951 0.74 TSHR (0.75) TSHRL3MBTL1MAPTMAPK1TDP1
Propane SCHEMBL11584021 0.74 TSHR (0.83) TSHRL3MBTL1MAPTMAPK1TDP1
SCHEMBL17972568 0.74 KCNH2 (0.43) TDP1SMN1; SMN2NPC1RAB9AALDH1A1
Potassium SCHEMBL586337 0.73 TSHR (0.94) TSHRIDO1AGXTALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 TSHR 1185/4885L3MBTL1 4082/4885MAPT 1269/4885

“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.