SCHEMBL15904643

SCHEMBL15904643

[C]#Cc1ccc(N(O)CC)cc1

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
RECQL P46063 1/20 0.30
GFER P55789 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3955438 0.78 ALDH1A1 (0.52) PSMD14ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL2831815 0.73 ALDH1A1 (0.46) PSMD14ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL11692293 0.73 ESR1 (0.47) ALDH1A1CYP3A4TSHRMAPK1RECQL
SCHEMBL3886595 0.71 ALDH1A1 (0.52) PSMD14ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL459307 0.71 ALDH1A1 (0.60) PSMD14ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL1858216 0.70 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL314578 0.70 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRL3MBTL1
Hydrochloric Acid SCHEMBL7930929 0.69 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRL3MBTL1
Bromide SCHEMBL31286101 0.69 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRL3MBTL1
SCHEMBL7643693 0.68 CA12 (0.48) ALDH1A1MAPK1GFER

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-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO PSMD14 4385/4885ALDH1A1 289/4885CYP3A4 558/4885

“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.