SCHEMBL4237173

SCHEMBL4237173

Cc1ccccc1C(C)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ACHE P22303 2/20 0.45
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
CASR P41180 1/20 0.37
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33
PDK1 Q15118 1/20 0.32

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
SCHEMBL27465065 0.85 ACHE (0.41) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL2495517 0.84 TSHR (0.45) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL31521772 0.81 TSHR (0.47) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL8947032 0.81 TSHR (0.47) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL11528502 0.81 TSHR (0.47) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL28169119 0.80 GABRA1 (0.45) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL11149592 0.80 TSHR (0.41) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL19154005 0.79 ACHE (0.45) TSHRACHEGABRA1GABRB2ALDH1A1
SCHEMBL10034988 0.79 ACHE (0.45) TSHRACHEGABRA1GABRB2ALDH1A1
Hydrochloric Acid SCHEMBL27874695 0.79 TSHR (0.45) TSHRACHEGABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521464-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. (US) 2009-04-21 US disclosed
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 US 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-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome APP, BACE1, PSEN1 TSHR 874/4885ACHE 163/4885GABRA1 573/4885

“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.