SCHEMBL21473901

SCHEMBL21473901

Cc1ccc2ccc(C)c(N(c3ccc4oc5ccccc5c4c3)c3ccc4ccc5c(N(c6ccc7oc8ccccc8c7c6)c6c(C)ccc7ccc(C)cc67)ccc6ccc3c4c65)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.33
MAOB P27338 2/20 0.32
MAPT P10636 6/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 3/20 0.32
CYP1A2 P05177 2/20 0.31
LMNA P02545 2/20 0.31
THRB P10828 1/20 0.31
RUNX1 Q01196 1/20 0.31
CBFB Q13951 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2A6 P11509 1/20 0.31
TP53 P04637 2/20 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
SCHEMBL21473871 0.86
SCHEMBL21515717 0.85 MAOB (0.37) MAOAMAOBMAPTNPC1RAB9A
SCHEMBL21473900 0.84 CYP1A2 (0.34) MAOAMAOBMAPTNPC1RAB9A
SCHEMBL12206600 0.83 BCAT1 (0.36) MAOAMAOBMAPTNPC1RAB9A
SCHEMBL21515766 0.83 MAOB (0.36) MAOAMAOBMAPTNPC1RAB9A
SCHEMBL12206599 0.82 KDM4E (0.39) MAOAMAOBMAPTNPC1RAB9A
SCHEMBL21473769 0.81 CYP1A2 (0.38) MAOAMAPTKDM4EHPGDMEN1
SCHEMBL12206601 0.81 HPGD (0.36) MAOAMAOBMAPTNPC1RAB9A
SCHEMBL23919451 0.80 PGR (0.34) MAOBMAPTNPC1RAB9AKDM4E
SCHEMBL21475592 0.80 CYP1A2 (0.35) MAOAMAOBMAPTKDM4EHPGD

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 MAOA 50/4885MAOB 36/4885MAPT 1143/4885

“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.