SCHEMBL25501029

SCHEMBL25501029

CC(C)(C)c1ccc2c3ccccc3n(-c3cccc4ccccc34)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.41
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GSR P00390 1/20 0.36
MAPK14 Q16539 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
ACHE P22303 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL126285 0.84 ALDH1A1 (0.44) CNR2CNR1TDP1GSK3AGSK3B
SCHEMBL10090544 0.83 KIF11 (0.39) KIF11ALDH1A1PPARGPGRRORA
SCHEMBL18688749 0.83 NR1I2 (0.34) KIF11CNR2CNR1TDP1GSK3A
SCHEMBL6569322 0.82 ALDH1A1 (0.43) CNR2CNR1TDP1GSK3AGSK3B
SCHEMBL18267264 0.82 TDP1 (0.44) KIF11TDP1GSK3AGSK3BMAPK14
SCHEMBL18267258 0.82 TDP1 (0.44) KIF11TDP1GSK3AGSK3BMAPK14
SCHEMBL27930778 0.82 KIF11 (0.37) KIF11CNR2CNR1TDP1GSK3A
SCHEMBL17988900 0.81 ALDH1A1 (0.42) CNR2CNR1TDP1GSK3AGSK3B
SCHEMBL16231003 0.81 KIF11 (0.46) KIF11TDP1ALDH1A1LMNAPOLB
SCHEMBL490291 0.80 ALDH1A1 (0.50) CNR2CNR1TDP1GSK3AGSK3B

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-11655206-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-05-23 US disclosed
US-11655206-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-05-23 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-11655206-B2 Nitrogen-containing compound, electronic element, and electronic device MNS1, NOS1, NPM1 KIF11 3866/4885CNR2 3136/4885CNR1 3248/4885

“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.