SCHEMBL15919360

SCHEMBL15919360

O=C1CNC(=O)N1c1cc(-c2ccc(-c3ccc(OCCCCO)cc3)cc2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.46
PLA2G2A P14555 1/20 0.45
PDE10A Q9Y233 1/20 0.45
ACACA Q13085 2/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ADRA1A P35348 2/20 0.41
KCNH2 Q12809 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
TOP1 P11387 1/20 0.40
HDAC1 Q13547 1/20 0.40

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 SCHEMBL15905159 0.99 XDH (0.45) XDHPLA2G2APDE10AACACANPC1
SCHEMBL15905073 0.90 XDH (0.45) XDHPLA2G2APDE10AACACA
SCHEMBL15919358 0.84 XDH (0.43) XDHPLA2G2APDE10AACACANPC1
SCHEMBL15919350 0.83 MEN1 (0.46) PLA2G2APDE10ANPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL15905167 0.83 XDH (0.43) XDHPLA2G2APDE10AACACANPC1
SCHEMBL15905031 0.80 XDH (0.39) XDHPLA2G2APDE10AACACANPC1
SCHEMBL15919348 0.78 KDM4E (0.45) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL15919390 0.78 HDAC1 (0.44) TOP1HDAC1
SCHEMBL15905108 0.77 PDE3B (0.42) PLA2G2APDE10ANPC1RAB9AALDH1A1
SCHEMBL15919392 0.75 LTB4R (0.38) PLA2G2APDE10AACACANPC1RAB9A

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-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 XDH 81/4885PLA2G2A 1990/4885PDE10A 3633/4885

“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.