SCHEMBL6777569

SCHEMBL6777569

CCOC(=O)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.48
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
NMBR P28336 1/20 0.40

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
SCHEMBL2034215 0.88 SIRT2 (0.46) SIRT2
SCHEMBL1038850 0.87 SIRT2 (0.52) SIRT2ALDH1A1KDM4ENMBR
SCHEMBL4383636 0.85 SIRT2 (0.45) SIRT2
SCHEMBL9259069 0.84 CYP4F2 (0.46) SIRT2ALDH1A1
SCHEMBL877052 0.82 SIRT2 (0.46) SIRT2NMBR
SCHEMBL8447651 0.80 SIRT2 (0.51) SIRT2NMBR
SCHEMBL9789313 0.80 SIRT2 (0.42) SIRT2ALDH1A1
SCHEMBL23278623 0.80 SIRT2 (0.46) SIRT2NMBR
SCHEMBL9239485 0.80 SIRT2 (0.44) SIRT2NMBR
SCHEMBL8070031 0.79 ALDH1A1 (0.49) SIRT2ALDH1A1

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-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
US-6156746-A 1,2,5-benzothiadiazepine-1,1-dioxides with n-2 imidazolylalkyl substituents BRISTOL-MYERS SQUIBB COMPANY (US) 2000-12-05 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 (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 SIRT2 964/4885ALDH1A1 1270/4885CYP2C9 1432/4885
US-20030232790-A1 Dihydro-2h-napthalene-1-one inhibitors of ras farnesyl transferase NRAS, FNTA, CYP46A1 SIRT2 755/4885ALDH1A1 491/4885CYP2C9 394/4885

“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.