SCHEMBL426461

SCHEMBL426461

C#Cc1ccc(Oc2cccnc2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.60
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TGFBR1 P36897 1/20 0.47
AR P10275 3/20 0.47
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
BRAF P15056 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HTT P42858 1/20 0.40
PPARD Q03181 1/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4130236 0.82 LMNA (0.62) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL31089791 0.80 LMNA (0.59) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL4801989 0.78 LMNA (0.57) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL4801999 0.78 LMNA (0.57) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL433463 0.75 ALDH1A1 (0.58) CYP19A1LMNATDP1ALDH1A1TGFBR1
SCHEMBL3434561 0.75 CA12 (0.56) ALDH1A1ARKMT2AMEN1
SCHEMBL4131898 0.75 ALDH1A1 (0.54) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL4139611 0.75 ALDH1A1 (0.58) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL11457992 0.74 LMNA (0.81) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL11107948 0.73 LMNA (0.62) CYP19A1LMNATDP1ALDH1A1SMN1; SMN2

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 8 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

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 861/4885LMNA 3965/4885TDP1 1237/4885

“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.