SCHEMBL23869690

SCHEMBL23869690

CC(C)(C)N1C(=O)c2ccccc2-c2c(nnn2C(C)(C)C)-c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.33
TDO2 P48775 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
TTR P02766 1/20 0.31
CES1 P23141 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
DHODH Q02127 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL23869733 0.95 IDO1 (0.33) IDO1TDO2SMN1; SMN2POLBTTR
SCHEMBL25890662 0.82 TDO2 (0.38) IDO1TDO2SMN1; SMN2POLBTTR
SCHEMBL23869696 0.78 MAPT (0.38) IDO1TDO2SMN1; SMN2MAPTDHODH
SCHEMBL16980287 0.77 CHRM2 (0.34) IDO1TDO2CES1
SCHEMBL25890747 0.77 TDO2 (0.38) IDO1TDO2SMN1; SMN2POLBTTR
SCHEMBL25895952 0.75 TOP2A (0.43) IDO1TDO2SMN1; SMN2MAPTDHODH
SCHEMBL25162197 0.73 PGR (0.32)
SCHEMBL16980276 0.72 SMN1; SMN2 (0.32) SMN1; SMN2GAAMAPT
SCHEMBL20807653 0.72 TSHR (0.32) SMN1; SMN2GAA
SCHEMBL25161924 0.71 PGR (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210308207-A1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-10-07 US disclosed
US-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-09-30 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-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD FCER2, SQLE, TTL IDO1 565/4885TDO2 10/4885SMN1; SMN2 4579/4885
US-20210308207-A1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY VIP, PIN1, QPCT IDO1 1548/4885TDO2 723/4885SMN1; SMN2 2053/4885

“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.