SCHEMBL6501923

SCHEMBL6501923

COc1ccc2ccccc2c1C=Cc1nccs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 2/20 0.66
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 4/20 0.43
BACE1 P56817 1/20 0.43
KMT2A Q03164 7/20 0.41
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 6/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.39
NISCH Q9Y2I1 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
SCHEMBL2604953 0.75 BACE1 (0.61) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL2604927 0.75 MAPT (0.61) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL6498396 0.75 MAPT (0.61) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL6495751 0.75 CYP1A2 (0.49) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL2604947 0.75 KDM4E (0.55) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL9332051 0.75 NFE2L2 (0.54) RIOK2CYP1A2CYP3A4KDM4EHPGD
SCHEMBL2604931 0.74 CYP1A2 (0.61) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL11670985 0.73 KDM4E (0.56) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL11670988 0.73 KDM4E (0.56) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL26259281 0.72 MAPT (0.60) KDM4EHPGDMAPTKMT2AALDH1A1

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-6846830-B2 Naphtalene derivatives and their pharmaceutical use ELI LILLY AND COMPANY (US) 2005-01-25 US disclosed
US-20030073725-A1 Naphtalene derivatives and their pharmaceutical use ELI LILLY AND COMPANY 2003-04-17 US disclosed
EP-1272469-A1 NAPHTHALENE DERIVATIVES AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2003-01-08 EP disclosed
EP-1138328-A1 Naphthalene derivatives as CNS drugs ELI LILLY AND COMPANY LIMITED (GB) 2001-10-04 EP disclosed
WO-2001072709-A1 NAPHTALENE DERIVATIVES AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2001-10-04 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-20030073725-A1 Naphtalene derivatives and their pharmaceutical use CHRNA6, ATP6V1B2, GRM6 RIOK2 1819/4885MTNR1A 197/4885MTNR1B 225/4885

“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.