SCHEMBL12017477

SCHEMBL12017477

CNc1ccccc1Cc1nnn[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.46
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 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
SCHEMBL12017482 0.80 SLC6A4 (0.41) POLBMEN1KMT2AMAPTKDM4E
SCHEMBL7822927 0.76 TAAR1 (0.41) MEN1KMT2A
SCHEMBL5816301 0.76 C1R (0.38)
SCHEMBL9057228 0.76 AR (0.43) ARATP4AATP4BL3MBTL1ALDH1A1
SCHEMBL3145757 0.76 HSPA5 (0.52) MAPTGAA
SCHEMBL3149895 0.75 AR (0.47) ARMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL12017402 0.75 APP (0.49) MEN1KMT2AMAPTALDH1A1HSD17B10
SCHEMBL1249225 0.73 ADRA2A (0.53) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL3338194 0.73 APP (0.40) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL10620438 0.73 KDM4E (0.43) ARPOLBMEN1KMT2AKDM4E

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-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 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-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 AR 3375/4885ATP4A 2166/4885ATP4B 1478/4885

“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.