SCHEMBL6534282

SCHEMBL6534282

COc1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 1.00
ALDH1A1 P00352 8/20 1.00
KDM4E B2RXH2 9/20 0.83
SMN1; SMN2 Q16637 6/20 0.83
NPC1 O15118 5/20 0.83
RAB9A P51151 5/20 0.83
LMNA P02545 5/20 0.77
MAPK1 P28482 1/20 0.74
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
MAPT P10636 2/20 0.67
TP53 P04637 1/20 0.67
HSD17B10 Q99714 1/20 0.67

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
SCHEMBL2465149 0.91 ALDH1A1 (1.00) HPGDALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL31237652 0.90 ALDH1A1 (0.82) HPGDALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL6534320 0.88 HPGD (0.79) HPGDALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL2799908 0.86 HPGD (0.76) HPGDALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL13232473 0.85 ALDH1A1 (1.00) HPGDALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL28094944 0.85 ALDH1A1 (0.73) HPGDALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL31238209 0.84 HPGD (0.72) HPGDALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL6534639 0.84 HPGD (1.00) HPGDALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL29411859 0.84 HPGD (1.00) HPGDALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL15233667 0.82 HPGD (0.69) HPGDALDH1A1KDM4ESMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
US-20130102627-A1 Acridines As Inhibitors Of Haspin And DYRK Kinases THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-04-25 US disclosed
EP-1088818-B1 Quinolin-4-yl derivatives HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed
US-6440995-B1 NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS HOFFMAN-LA ROCHE INC. 2002-08-27 US disclosed
EP-1088818-A1 Quinolin-4-yl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-04-04 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-20130102627-A1 Acridines As Inhibitors Of Haspin And DYRK Kinases HASPIN, MAP3K6, DAPK2 HPGD 1984/4885ALDH1A1 3296/4885KDM4E 3446/4885

“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.