SCHEMBL2884709

SCHEMBL2884709

O=C(O)N1CC=C(c2nnn(-c3ccccc3)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.44
ABCB1 P08183 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
GRM5 P41594 1/20 0.43
GRM1 Q13255 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2885677 0.84 GRM1 (0.65) GRM5GRM1
SCHEMBL2888969 0.74 GRM1 (0.72) ALDH1A1HPGDGRM5GRM1SMN1; SMN2
SCHEMBL2241959 0.74 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL10317879 0.73 ALDH1A1 (0.54) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2891852 0.72 GRM1 (0.51) ALDH1A1HPGDGRM5GRM1SMN1; SMN2
SCHEMBL28811687 0.71 ALDH1A1 (0.63) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL2892933 0.69 GRM1 (0.44) ALDH1A1HPGDGRM5GRM1SMN1; SMN2
SCHEMBL12100560 0.69 ALDH1A1 (0.59) ALDH1A1GRM5GRM1SMN1; SMN2NPC1
SCHEMBL30097493 0.69 ALDH1A1 (0.59) ALDH1A1GRM5GRM1SMN1; SMN2NPC1
SCHEMBL16114190 0.68 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 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-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B ABCG2 1745/4885ABCB1 1652/4885ALDH1A1 712/4885

“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.