SCHEMBL9902247

SCHEMBL9902247

O=C(c1nc2ncc(Br)cn2n1)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
TDP1 Q9NUW8 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
TSHR P16473 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ESR2 Q92731 4/20 0.43
HPGD P15428 4/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ESR1 P03372 3/20 0.39
POLB P06746 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM5 P41594 6/20 0.38
RIPK1 Q13546 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9903738 0.78 KDM4E (0.58) ALDH1A1TDP1GAAMAPTTSHR
SCHEMBL9903304 0.77 GRM5 (0.52) ALDH1A1TSHRHPGDKMT2AMEN1
SCHEMBL9902939 0.77 ALDH1A1 (0.52) ALDH1A1TDP1GAAMAPTTSHR
SCHEMBL9903310 0.75 GRM5 (0.40) ALDH1A1MAPTTSHRHTTSMN1; SMN2
SCHEMBL9987480 0.74 HPGD (0.52) ALDH1A1TDP1GAAMAPTTSHR
SCHEMBL4206864 0.73 TDP1 (0.57) ALDH1A1TDP1GAAMAPTTSHR
SCHEMBL928041 0.73 ALDH1A1 (1.00) ALDH1A1TDP1GAAMAPTTSHR
SCHEMBL15292429 0.73 ALDH1A1 (1.00) ALDH1A1TDP1GAAMAPTTSHR
SCHEMBL9903074 0.72 GRM5 (0.48) ALDH1A1SMN1; SMN2HPGDHSD17B10GRM5
SCHEMBL9903506 0.72 GRM5 (0.45) ALDH1A1TSHRHPGDKMT2AMEN1

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-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US disclosed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP 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-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS GRM5, GRIK5, GRM1 ALDH1A1 3284/4885TDP1 3476/4885GAA 3448/4885

“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.