SCHEMBL15919392

SCHEMBL15919392

O=C(O)CCCOc1ccc(-c2ccc(-c3cc(N4C(=O)CNC4=S)c4cnccc4n3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
STAT1 P42224 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 1/20 0.38
PLA2G2A P14555 1/20 0.37
PDE3B Q13370 4/20 0.37
PDE3A Q14432 4/20 0.37
P2RY12 Q9H244 3/20 0.37
PDE2A O00408 2/20 0.37
PDE10A Q9Y233 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL15919394 0.92 FFAR4 (0.39) LTB4RFFAR4FFAR1PLA2G2APDE3B
SCHEMBL15919391 0.92 HDAC1 (0.44)
SCHEMBL15919358 0.91 XDH (0.43) NPC1RAB9ASMN1; SMN2NFKB1STAT1
Hydrochloric Acid SCHEMBL15905167 0.91 XDH (0.43) NPC1RAB9ASMN1; SMN2NFKB1STAT1
SCHEMBL15919398 0.90 PDE3B (0.41) NPC1RAB9ASMN1; SMN2NFKB1STAT1
SCHEMBL15905031 0.86 XDH (0.39) NPC1RAB9ASMN1; SMN2NFKB1STAT1
SCHEMBL15919390 0.84 HDAC1 (0.44)
SCHEMBL15905073 0.83 XDH (0.45) PLA2G2APDE3BPDE3AP2RY12PDE2A
SCHEMBL15905108 0.83 PDE3B (0.42) NPC1RAB9ASMN1; SMN2PLA2G2APDE3B
SCHEMBL18897050 0.82 FFAR4 (0.37) LTB4RFFAR4FFAR1PLA2G2APDE3B

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 9 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 claimed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US claimed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
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
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US 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 LTB4R 2149/4885NPC1 565/4885RAB9A 2721/4885

“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.