SCHEMBL21473769

SCHEMBL21473769

Cc1ccc2ccc(C)c(N(c3ccccc3)c3ccc4ccc5c(N(c6ccccc6)c6c(C)ccc7ccc(C)cc67)ccc6ccc3c4c65)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.38
CYP2A6 P11509 3/20 0.38
MAOA P21397 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL21475592 0.92 CYP1A2 (0.35) CYP1A2CYP2A6MAOAALDH1A1TDP1
SCHEMBL21475593 0.89 CYP1A2 (0.34) CYP1A2CYP2A6MAOAALDH1A1TDP1
SCHEMBL24699019 0.85 KDM4E (0.36) CYP1A2CYP2A6MAOAALDH1A1TDP1
SCHEMBL24699291 0.85 CYP1A2 (0.35) CYP1A2CYP2A6MAOAALDH1A1TDP1
SCHEMBL24699292 0.85 CYP1A2 (0.38) CYP1A2CYP2A6MAOAALDH1A1TDP1
SCHEMBL21870381 0.85 TDP1 (0.39) CYP1A2CYP2A6MAOAALDH1A1TDP1
SCHEMBL19770473 0.84 CYP1A2 (0.37) CYP1A2CYP2A6MAOAALDH1A1TDP1
SCHEMBL24699018 0.84 CYP2A6 (0.35) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL21473855 0.84 MAOB (0.31) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL13308822 0.83 TDP1 (0.40) CYP1A2CYP2A6MAOAALDH1A1TDP1

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-11512039-B2 Aromatic amine derivatives, preparation methods therefor, and uses thereof GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2022-11-29 US disclosed
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 (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-20190315675-A1 AROMATIC AMINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND USES THEREOF SLC7A1, WEE1, SLC7A5 CYP1A2 733/4885CYP2A6 2010/4885MAOA 50/4885
US-11512039-B2 Aromatic amine derivatives, preparation methods therefor, and uses thereof SLC7A1, WEE1, SLC7A5 CYP1A2 733/4885CYP2A6 2010/4885MAOA 50/4885

“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.