SCHEMBL427753

SCHEMBL427753

C#Cc1ccc(Oc2cccnc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.70
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 2/20 0.56
LTA4H P09960 2/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
HTT P42858 2/20 0.45
HDAC8 Q9BY41 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
GRM5 P41594 1/20 0.40
TP53 P04637 1/20 0.40
RECQL P46063 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
SCHEMBL16114401 0.84 LMNA (0.75) CYP19A1TDP1LMNALTA4HCYP11B1
SCHEMBL9046506 0.83 LMNA (0.68) CYP19A1TDP1LMNALTA4HCYP11B1
SCHEMBL31528097 0.82 CYP19A1 (1.00) CYP19A1TDP1LMNALTA4HCYP11B1
SCHEMBL5214250 0.82 CYP19A1 (0.70) CYP19A1TDP1LMNALTA4HCYP11B1
SCHEMBL2023479 0.82 CYP19A1 (1.00) CYP19A1TDP1LMNALTA4HCYP11B1
SCHEMBL27968872 0.81 LMNA (0.69) CYP19A1TDP1LMNALTA4HCYP11B1
SCHEMBL676142 0.80 LMNA (0.82) CYP19A1TDP1LMNALTA4HCYP11B1
SCHEMBL30535283 0.80 LMNA (0.82) CYP19A1TDP1LMNALTA4HCYP11B1
SCHEMBL15042764 0.79 HDAC8 (0.62) CYP19A1LTA4HSMN1; SMN2HDAC8HAO1
SCHEMBL29500180 0.78 LMNA (0.72) CYP19A1TDP1LMNALTA4HCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575150-B2 Triazole derivatives for treatment of Alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2013-11-05 US disclosed
US-8575150-B2 Triazole derivatives for treatment of Alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2013-11-05 US disclosed
US-8575150-B2 Triazole derivatives for treatment of Alzheimer's disease MERCK SHARP & DOHME CORP. (US) 2013-11-05 US disclosed
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2012-01-26 US disclosed
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2012-01-26 US disclosed
US-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2012-01-26 US disclosed
EP-2378879-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2011-10-26 EP disclosed
WO-2010071741-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-06-24 WO disclosed
WO-2010071741-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-06-24 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-20120022044-A1 TRIAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MAPT, BACE1, APP CYP19A1 861/4885TDP1 1237/4885LMNA 3965/4885

“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.