SCHEMBL21715552

SCHEMBL21715552

O=[N+]([O-])c1ccc(C/N=C/c2ccc3ccccc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
IKBKB O14920 1/20 0.50
MAPT P10636 6/20 0.45
KDM4E B2RXH2 3/20 0.45
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.43
ALPG P10696 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL13133355 0.83 BCHE (0.56) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL21715597 0.83 CA2 (0.59) MAPTKDM4EPOLBALDH1A1MEN1
SCHEMBL14346251 0.81 SMN1; SMN2 (0.58) MAPTKDM4EPOLBNPSR1ALDH1A1
SCHEMBL11782000 0.79 HSPB1 (0.49) MAPTPOLBNPSR1ALDH1A1MEN1
SCHEMBL21715554 0.77 TDP1 (0.47) MAPTKDM4EPOLBALDH1A1MEN1
SCHEMBL21715553 0.77 MEN1 (0.54) MAOAMAOBMAPTALDH1A1MEN1
SCHEMBL9828040 0.76 MAOA (0.69) MAOAMAOBIKBKBMAPTGLA
SCHEMBL9828035 0.76 MAOA (0.69) MAOAMAOBIKBKBMAPTGLA
SCHEMBL9423244 0.76 MAOA (0.51) MAOAMAOBIKBKBMAPTKDM4E
SCHEMBL29511698 0.76 MAPT (0.46) IKBKBMAPTKDM4EALDH1A1MEN1

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-10836761-B2 Cinchonine-derived catalysts and methods of using same BRANDEIS UNIVERSITY (US) 2020-11-17 US disclosed
US-20200048243-A1 CINCHONINE-DERIVED CATALYSTS AND METHODS OF USING SAME BRANDEIS UNIVERSITY (US) 2020-02-13 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-10836761-B2 Cinchonine-derived catalysts and methods of using same MCM2, MCM7, MCM5 MAOA 1420/4885MAOB 1300/4885IKBKB 3568/4885
US-20200048243-A1 CINCHONINE-DERIVED CATALYSTS AND METHODS OF USING SAME MCM2, MCM7, MCM5 MAOA 1420/4885MAOB 1300/4885IKBKB 3568/4885

“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.