SCHEMBL17327552

SCHEMBL17327552

O=C(NNCl)c1cc(-c2ccc(C#Cc3ccc(C(=O)N4CCC[C@H]4C(=O)O)cc3)cc2)nc2ccncc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
CA2 P00918 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PREP P48147 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2C9 P11712 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DGAT1 O75907 1/20 0.34

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
SCHEMBL17327495 0.98 TDP1 (0.37) ALDH1A1TRPV1MMP2MMP9MMP8
SCHEMBL17327509 0.91 TDP1 (0.34) ALDH1A1TRPV1L3MBTL1MAPTMEN1
SCHEMBL15904980 0.91 ALDH1A1 (0.41) ALDH1A1TRPV1MMP2MMP9MMP8
SCHEMBL15905495 0.91 ALDH1A1 (0.41) ALDH1A1TRPV1MMP2MMP9MMP8
SCHEMBL15904983 0.91 ALDH1A1 (0.41) ALDH1A1TRPV1MMP2MMP9MMP8
SCHEMBL15919380 0.90 GYS1 (0.33) ALDH1A1TRPV1MMP2MMP9MMP8
SCHEMBL15919288 0.90 GYS1 (0.35) TRPV1MEN1KMT2ANPSR1CYP2C9
Hydrochloric Acid SCHEMBL15905418 0.90 ALDH1A1 (0.40) ALDH1A1TRPV1MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL17313717 0.90 ALDH1A1 (0.40) ALDH1A1TRPV1MMP2MMP9MMP8
SCHEMBL15919489 0.88 KMT2A (0.37) ALDH1A1L3MBTL1MAPTMEN1KMT2A

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-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

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 ALDH1A1 289/4885TRPV1 1448/4885MMP2 178/4885

“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.