SCHEMBL16871129

SCHEMBL16871129

C=CCN1c2ccccc2SC1C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.40
▸ HRH1 P35367 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PPARG P37231 1/20 0.33

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
SCHEMBL16871005 0.84 BCHE (0.35) GSK3BALDH1A1KMT2ABCHEACHE
SCHEMBL16871014 0.83 MCHR1 (0.44) ALDH1A1POLBBCHESMN1; SMN2
SCHEMBL9433695 0.73 GSK3B (0.43) GSK3BPOLBKMT2AMEN1
SCHEMBL11073006 0.73 BCHE (0.41) GSK3BALDH1A1KMT2ABCHEACHE
SCHEMBL29222316 0.72 GSK3B (0.37) GSK3BPOLBKMT2AMEN1
SCHEMBL28691443 0.71 GSK3B (0.37) GSK3BPOLBKMT2AMEN1
SCHEMBL7547859 0.70 FNTA (0.41) GSK3BPOLBKMT2ABCHEMEN1
SCHEMBL8015168 0.69 PPARG (0.36) GSK3BPOLBKMT2AMEN1PPARG
SCHEMBL11355350 0.69 KMT2A (0.35) GSK3BALDH1A1POLBKMT2ALMNA
SCHEMBL9743286 0.68 GSK3B (0.42) GSK3BPOLBKMT2ABCHELMNA

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 GSK3B 2988/4885HRH1 3563/4885ALDH1A1 877/4885

“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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