SCHEMBL432736

SCHEMBL432736

C#Cc1ccc(Oc2cccnc2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
PPARD Q03181 1/20 0.47
CYP19A1 P11511 4/20 0.47
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
FFAR4 Q5NUL3 3/20 0.41
HTT P42858 1/20 0.38
MAP2K1 Q02750 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
IDH1 O75874 1/20 0.35

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
SCHEMBL11802486 0.82 ERBB2 (0.44)
SCHEMBL6863054 0.78 MAP2K1 (0.54) SMN1; SMN2ALDH1A1PPARDCYP19A1LMNA
SCHEMBL5570151 0.78 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1PPARDCYP19A1LMNA
SCHEMBL30354782 0.78 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1PPARDCYP19A1LMNA
SCHEMBL328397 0.78 PPARD (0.53) SMN1; SMN2ALDH1A1PPARDCYP19A1LMNA
SCHEMBL9046506 0.77 LMNA (0.68) SMN1; SMN2ALDH1A1CYP19A1LMNATDP1
SCHEMBL427753 0.77 CYP19A1 (0.70) SMN1; SMN2ALDH1A1CYP19A1LMNATDP1
SCHEMBL4458510 0.75 FFAR4 (0.52) SMN1; SMN2ALDH1A1CYP19A1LMNATDP1
SCHEMBL11483460 0.75 LMNA (0.53) SMN1; SMN2ALDH1A1PPARDCYP19A1LMNA
SCHEMBL11990011 0.74 PPARD (0.50) SMN1; SMN2ALDH1A1PPARDCYP19A1LMNA

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-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
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

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 SMN1; SMN2 2221/4885ALDH1A1 645/4885PPARD 908/4885

“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.