SCHEMBL6068362

SCHEMBL6068362

O=C(NCc1ccccc1)c1ccncc1CCO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
LMNA P02545 3/20 0.58
HPGD P15428 2/20 0.58
GAA P10253 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ROCK2 O75116 2/20 0.57
ROCK1 Q13464 2/20 0.57
USP2 O75604 1/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 2/20 0.54
MAPK1 P28482 2/20 0.50
HPGDS O60760 2/20 0.50
RPS6KA5 O75582 1/20 0.50
MAP4K4 O95819 1/20 0.50
PRKCG P05129 1/20 0.50
PRKACA P17612 1/20 0.50
RPS6KB1 P23443 1/20 0.50
AKT1 P31749 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50

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
SCHEMBL15467467 0.84 RAB9A (0.61) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL5216952 0.83 HPGD (0.57) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL22717260 0.82 HPGD (0.68) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL29676833 0.82 HPGD (0.68) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL8866839 0.81 ALDH1A1 (0.51) ALDH1A1HPGDROCK2ROCK1KMT2A
SCHEMBL18477517 0.80 USP2 (0.72) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL14284673 0.80 USP2 (0.59) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL10370742 0.78 HTT (0.71) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL17686276 0.75 HPGD (1.00) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL798001 0.74 RAB9A (0.61) ALDH1A1LMNAHPGDGAAL3MBTL1

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-7144887-B2 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2006-12-05 US disclosed
US-20030125333-A1 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2003-07-03 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-20030125333-A1 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition HAX1, HTR1D, CHRM1 ALDH1A1 2520/4885LMNA 1802/4885HPGD 1344/4885

“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.