SCHEMBL14969273

SCHEMBL14969273

Cc1ccc2c(c1C)CCCC2(O)c1ncc[nH]1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
CASR P41180 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA1A P35348 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL779741 0.74 ADRA1A (0.39) TP53TSHRADRA2AADRA1ACYP11B1
SCHEMBL9531758 0.68 TSHR (0.40) TP53TSHRADRA2AADRA1A
SCHEMBL768819 0.67 MAP3K14 (0.40) TP53TSHRADRA2AADRA1A
SCHEMBL29829305 0.65 CES2 (0.48) TP53
SCHEMBL768915 0.63 TSHR (0.40) TP53TSHR
SCHEMBL8664825 0.63 RARB (0.39) TP53TSHR
SCHEMBL769256 0.62 MAP3K14 (0.41) TP53TSHRADRA2AADRA1A
SCHEMBL769157 0.62 TSHR (0.40) TP53TSHRADRA2AADRA1A
SCHEMBL20232405 0.62 ALDH1A1 (0.32)
SCHEMBL9734357 0.62 KDM5A (0.34) TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780008-B1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF MERIAL INC (US) 2017-07-05 EP disclosed
US-9173404-B2 Compositions comprising an aryl pyrazole and a substituted imidazole, methods and uses thereof MERIAL, INC. (US) 2015-11-03 US disclosed
US-9125407-B2 Compositions comprising an aryl pyrazole and a substituted imidazole, methods and uses thereof MERIAL, INC. (US) 2015-09-08 US disclosed
US-20150011601-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2015-01-08 US disclosed
US-20140303220-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2014-10-09 US disclosed
EP-2780008-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF Merial Limited (US) 2014-09-24 EP disclosed
WO-2013074892-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2013-05-23 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 (2 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-20140303220-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF TYR, AADAC, PIR TP53 2807/4885TSHR 3870/4885CASR 4421/4885
US-20150011601-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF TYR, AADAC, PIR TP53 2807/4885TSHR 3870/4885CASR 4421/4885

“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.