SCHEMBL15919358

SCHEMBL15919358

O=C1CNC(=S)N1c1cc(-c2ccc(-c3ccc(OCCCCO)cc3)cc2)nc2ccncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.43
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NFKB1 P19838 1/20 0.39
STAT1 P42224 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
PKM P14618 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
OPRK1 P41145 1/20 0.37
PLA2G2A P14555 2/20 0.36
PDE10A Q9Y233 1/20 0.36
ACACA Q13085 2/20 0.36

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
Hydrochloric Acid SCHEMBL15905167 0.99 XDH (0.43) XDHNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL15905031 0.94 XDH (0.39) XDHNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL15905073 0.92 XDH (0.45) XDHPLA2G2APDE10AACACAPDE2A
SCHEMBL15919392 0.91 LTB4R (0.38) NPC1RAB9ASMN1; SMN2NFKB1STAT1
SCHEMBL15919391 0.88 HDAC1 (0.44)
SCHEMBL15919398 0.87 PDE3B (0.41) NPC1RAB9ASMN1; SMN2NFKB1STAT1
SCHEMBL15905555 0.85 MEN1 (0.41) NPC1RAB9ASMN1; SMN2NFKB1STAT1
SCHEMBL15919360 0.84 XDH (0.46) XDHNPC1RAB9ASMN1; SMN2PLA2G2A
SCHEMBL15919394 0.83 FFAR4 (0.39) XDHPLA2G2APDE10AACACAPDE2A
Hydrochloric Acid SCHEMBL15905159 0.83 XDH (0.45) XDHNPC1RAB9ASMN1; SMN2PLA2G2A

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 8 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-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 XDH 81/4885NPC1 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.