SCHEMBL6780263

SCHEMBL6780263

O=C(NCc1ccc2nccc(CCc3ccccc3)c2c1)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ ERCC1 P07992 1/20 0.45
▸ ERCC4 Q92889 1/20 0.45
▸ SYK P43405 2/20 0.45
▸ ROCK2 O75116 2/20 0.45
▸ ROCK1 Q13464 2/20 0.45
▸ EGFR P00533 1/20 0.45
▸ NSD2 O96028 1/20 0.44
▸ DYRK1A Q13627 2/20 0.44
▸ RPS6KA5 O75582 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ PRKCG P05129 1/20 0.44
▸ PRKACA P17612 1/20 0.44

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
SCHEMBL5767206 0.83 LMNA (0.51) KDM1AHDAC1ERCC1ERCC4ROCK2
SCHEMBL5764848 0.77 LMNA (0.57) HDAC1EGFRRPS6KB1MAPK1CLK4
SCHEMBL5822709 0.74 MAPK3 (0.53) HDAC1PPARGERCC1ERCC4SYK
SCHEMBL2924662 0.73 HDAC6 (0.74) HDAC1SYKROCK2ROCK1EGFR
SCHEMBL1680963 0.73 HDAC6 (0.58) ADORA3ADORA2AADORA2BADORA1HDAC1
SCHEMBL5780921 0.72 CCNC (0.46) MAPT
SCHEMBL3422647 0.72 ROCK2 (0.62) HDAC1PPARGERCC1ERCC4SYK
SCHEMBL5823771 0.72 SMN1; SMN2 (0.48) ADORA3ADORA2AADORA2BADORA1KDM1A
SCHEMBL10483392 0.71 LOXL2 (0.58) EGFRMAPK1
SCHEMBL30746358 0.71 LOXL2 (0.58) EGFRMAPK1

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
JP-2004318111-A COLORED PHOTOSENSITIVE RESIN COMPOSITION SUMITOMO CHEM CO LTD 2004-11-11 — — JP disclosed
US-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists ANDO KAZUO (JP) 2004-10-14 — — 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-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists GRIN1, GRIN2B, GRIN2A TRPV1 65/4885ADORA3 412/4885ADORA2A 296/4885

“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.

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