SCHEMBL16871005

SCHEMBL16871005

CC=CCN1c2ccccc2SC1C(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.35
▸ ACHE P22303 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GSK3B P49841 4/20 0.33
▸ MAPT P10636 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ THRB P10828 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
SCHEMBL16871014 0.86 MCHR1 (0.44) BCHESMN1; SMN2ALDH1A1
SCHEMBL16871129 0.84 GSK3B (0.40) BCHEACHEMEN1KMT2ASMN1; SMN2
SCHEMBL11326295 0.77 SMN1; SMN2 (0.40) BCHEACHEMEN1KMT2ASMN1; SMN2
SCHEMBL11073006 0.71 BCHE (0.41) BCHEACHEMEN1KMT2ASMN1; SMN2
SCHEMBL16871131 0.64 MEN1 (0.42) BCHEACHEMEN1KMT2ASMN1; SMN2
SCHEMBL28168110 0.64 NOX1 (0.41) BCHEACHEMEN1KMT2ALMNA
SCHEMBL27893554 0.63 GSK3B (0.41) BCHEACHEMEN1KMT2ASMN1; SMN2
SCHEMBL28131846 0.62 NOX1 (0.42) BCHEACHEMEN1KMT2ASMN1; SMN2
SCHEMBL7592555 0.61 MEN1 (0.53) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL3386305 0.60 BCHE (0.41) BCHEACHEMEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150183772-A1 ALKYLATION OF AZOLES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2015-07-02 — — US disclosed
US-20150183772-A1 ALKYLATION OF AZOLES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2015-07-02 — — 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-20150183772-A1 ALKYLATION OF AZOLES AKR1C3, DCXR, AKR1C2 BCHE 4026/4885ACHE 4220/4885MEN1 1377/4885

“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.

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