SCHEMBL4894342

SCHEMBL4894342

c1ccc(COc2cccc3c2NCCO3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 3/20 0.44
MAOA P21397 1/20 0.44
HTR1A P08908 4/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
HTR6 P50406 1/20 0.41
LTA4H P09960 1/20 0.41
MAPK14 Q16539 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
DRD2 P14416 1/20 0.40
CCNB2 O95067 1/20 0.39

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
SCHEMBL20206729 0.75 CTNNB1 (0.40) MAPTALDH1A1
SCHEMBL4894335 0.75 BRD4 (0.50) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL4716745 0.75 MAPT (0.49) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL2987220 0.73 HTT (0.44) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL21412915 0.71 MAOB (0.67) GRM5MAOBMAOANPC1ALDH1A1
SCHEMBL19684894 0.70 GRM5 (0.43) GRM5MAOBMAOASLC6A4NPC1
SCHEMBL10522223 0.70 MAOB (0.53) MAPTMAPK1TDP1L3MBTL1MAOB
SCHEMBL19667307 0.70 GRM5 (0.42) GRM5MAOBMAOASLC6A4NPC1
SCHEMBL2987490 0.69 SLC6A2 (0.44) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL10904842 0.69 ADRA2A (0.41) GRM5ALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 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 (3 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-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 GRM5 3506/4885MAPT 962/4885MAPK1 4175/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 GRM5 1868/4885MAPT 552/4885MAPK1 2389/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 GRM5 3861/4885MAPT 1019/4885MAPK1 2178/4885

“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.