SCHEMBL3053165

SCHEMBL3053165

O=C1CCCc2ccccc2N1C1=CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.38
OPRM1 P35372 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL9627340 0.76 HPGD (0.66) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL8574458 0.74 LMNA (0.35) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL432918 0.70 MEN1 (0.54) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL25329754 0.69 ALDH1A1 (0.37) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL29946500 0.68 MEN1 (0.50) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL678115 0.68 MEN1 (0.50) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL677619 0.68 MEN1 (0.50) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6949386 0.68 MEN1 (0.50) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL8164410 0.68 MEN1 (0.50) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3612810 0.68 OPRM1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD

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-8242150-B2 Triazole derivatives for treating alzheimer'S disease and related conditions MERCK SHARP & DOHME CORP. (US) 2012-08-14 US disclosed
US-20100222320-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS SCHERING CORPORATION 2010-09-02 US disclosed
EP-2166854-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156580-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK & CO., INC. (US) 2008-12-24 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-20100222320-A1 TRIAZOLE DERIVATIVES FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS BACE1, PSEN1, PSEN2 MEN1 4201/4885KMT2A 2910/4885CYP1A2 150/4885

“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.