SCHEMBL427752

SCHEMBL427752

C(#Cc1ccccc1)Oc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GRM5 P41594 1/20 0.41
CYP2A6 P11509 4/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2B6 P20813 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2E1 P05181 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C8 P10632 1/20 0.39
APP P05067 1/20 0.38
NOTUM Q6P988 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL2190465 0.80 APP (0.52) GRM5CYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL2476047 0.76 APP (0.52) GRM5CYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL401836 0.74 GRM5 (0.64) GRM5CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL31673222 0.74 GRM5 (0.64) GRM5CYP2A6CYP2C9CYP2B6CYP2C19
SCHEMBL8027795 0.71
SCHEMBL15469439 0.71
SCHEMBL130690 0.71
SCHEMBL28358478 0.70 ALDH1A1 (0.54) LMNATDP1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11884436 0.70 LMNA (0.54) CYP19A1LMNATDP1CYP11B1CYP11B2
SCHEMBL29500180 0.70 LMNA (0.72) CYP19A1LMNATDP1CYP11B1CYP11B2

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 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.