SCHEMBL21473770

SCHEMBL21473770

CC(C)(C)c1ccc2ccc(C(C)(C)C)c(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6c(C(C)(C)C)ccc7ccc(C(C)(C)C)cc67)ccc6ccc3c4c65)c2c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.34
CYP2D6 P10635 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PLAU P00749 1/20 0.32
KIF11 P52732 2/20 0.31
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL24699692 0.84 NR1I2 (0.31) NR1I2CYP2D6
SCHEMBL19770472 0.82 ALDH1A1 (0.34) CYP2D6MEN1KMT2A
SCHEMBL14339342 0.80 MEN1 (0.36) NR1I2CYP2D6MEN1KMT2AKIF11
SCHEMBL12856442 0.80 MEN1 (0.36) NR1I2CYP2D6MEN1KMT2AKIF11
SCHEMBL11427912 0.79 CYP2D6 (0.35) CYP2D6MEN1KMT2APOLBGAA
SCHEMBL13948921 0.79 MEN1 (0.35) NR1I2CYP2D6MEN1KMT2AKIF11
SCHEMBL21473768 0.79 MEN1 (0.32) MEN1KMT2A
SCHEMBL13304254 0.78 CYP2D6 (0.33) CYP2D6KIF11
SCHEMBL19770513 0.76 MEN1 (0.31) MEN1KMT2A
SCHEMBL12292337 0.75 NPC1 (0.32) CYP2D6MEN1KMT2AKIF11RAB9A

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-20190315675-A1 AROMATIC AMINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND USES THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-10-17 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-20190315675-A1 AROMATIC AMINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND USES THEREOF SLC7A1, WEE1, SLC7A5 NR1I2 3479/4885CYP2D6 1066/4885MEN1 1863/4885

“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.