SCHEMBL6776094

SCHEMBL6776094

CCOC(=O)Cc1cncn1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 9/20 0.62
▸ CYP11B2 P19099 9/20 0.62
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ IDO1 P14902 2/20 0.44
▸ FNTA P49354 1/20 0.44
▸ FNTB P49356 1/20 0.44
▸ PGGT1B P53609 1/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ PPID Q08752 1/20 0.43

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
SCHEMBL9642301 0.87 CYP11B1 (0.77) CYP11B1CYP11B2IDO1FNTAFNTB
SCHEMBL2789863 0.86 CYP11B1 (0.76) CYP11B1CYP11B2IDO1FNTAFNTB
SCHEMBL9123088 0.85 CYP11B1 (0.67) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL2789150 0.82 CYP11B1 (0.61) CYP11B1CYP11B2IDO1FNTAFNTB
Hydrochloric Acid SCHEMBL8763109 0.80 CYP11B1 (0.60) CYP11B1CYP11B2IDO1FNTAFNTB
SCHEMBL6781178 0.80 CYP11B1 (0.47) CYP11B1CYP11B2
SCHEMBL9267101 0.79 CYP11B1 (0.58) CYP11B1CYP11B2ALDH1A1IDO1FNTA
SCHEMBL27306308 0.79 CYP11B1 (0.52) CYP11B1CYP11B2ALDH1A1IDO1TSHR
SCHEMBL16380792 0.78 CYP11B1 (0.57) CYP11B1CYP11B2ALDH1A1MAPTIDO1
SCHEMBL7259729 0.78 CYP11B1 (0.61) CYP11B1CYP11B2ALDH1A1IDO1FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171844-A1 Dihydro-2H-naphthalene-1-one inhibitors of ras farnesyl transferase LEONARD DANIELE MARIE (US) 2004-09-02 — — US disclosed
US-20030232790-A1 Dihydro-2h-napthalene-1-one inhibitors of ras farnesyl transferase WARNER-LAMBERT COMPANY 2003-12-18 — — US disclosed
EP-1276724-A2 DIHYDRO-2H-NAPHTHALENE-1-ONE INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 — — EP disclosed
WO-2001079179-A2 DIHYDRO-2H-NAPHTHALENE-1-ONE INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 — — 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 (2 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-20040171844-A1 Dihydro-2H-naphthalene-1-one inhibitors of ras farnesyl transferase NRAS, HRAS, FNTB CYP11B1 507/4885CYP11B2 1099/4885ALDH1A1 1270/4885
US-20030232790-A1 Dihydro-2h-napthalene-1-one inhibitors of ras farnesyl transferase NRAS, FNTA, CYP46A1 CYP11B1 206/4885CYP11B2 430/4885ALDH1A1 491/4885

“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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