SCHEMBL6528867

SCHEMBL6528867

COc1c(C(N)=O)ccc(C)c1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PLA2G2A P14555 3/20 0.41
PLA2G10 O15496 2/20 0.41
IDH1 O75874 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 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
SCHEMBL5550889 0.83 PLA2G2A (0.47) ALDH1A1MAPTHPGDUSP2ALOX15
SCHEMBL28778944 0.77 MAPT (0.48) ALDH1A1MAPTHPGDALOX15NPSR1
SCHEMBL28132009 0.77 FAAH (0.56) ALDH1A1MAPTHPGDUSP2ALOX15
SCHEMBL5482150 0.77 PLA2G2A (0.45) ALDH1A1MAPTHPGDUSP2ALOX15
SCHEMBL5595854 0.76 CNR2 (0.43) ALDH1A1PLA2G2APLA2G10CNR2IKBKB
SCHEMBL28681774 0.76 PLA2G2A (0.57) ALDH1A1MAPTHPGDUSP2ALOX15
SCHEMBL529917 0.76 IKBKB (0.47) ALDH1A1HPGDNPSR1MEN1LMNA
SCHEMBL28349638 0.75 KDM4E (0.43) ALDH1A1HPGDHSD17B10PLA2G2AIDH1
SCHEMBL30096216 0.75 NPC1 (0.34) ALDH1A1MAPTHPGDUSP2ALOX15
SCHEMBL6645354 0.74 NNMT (0.49) ALDH1A1MAPTPOLBMEN1LMNA

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-20050010048-A1 Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors ZHUANG LINGHANG (US) 2005-01-13 US disclosed
EP-1333831-A2 AZA-AND POLYAZA-NAPHTHALENYL KETONES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-08-13 EP disclosed
WO-2002036734-A2 AZA-AND POLYAZA-NAPHTHALENYL KETONES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-05-10 WO 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-20050010048-A1 Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors POLI, CYP51A1, DUT ALDH1A1 1974/4885MAPT 2711/4885HPGD 509/4885

“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.