SCHEMBL15919487

SCHEMBL15919487

COc1cc(-c2cc(C(=O)O)c3cnccc3n2)ccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.53
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL4245149 0.83 KDM4E (0.64) DHODHKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL15919488 0.83 MEN1 (0.43) DHODHKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL15919374 0.82 ALDH1A1 (0.52) DHODHMEN1KMT2AALDH1A1GAA
SCHEMBL15905102 0.80 EPRS1 (0.64) DHODHMEN1KMT2AALDH1A1GAA
SCHEMBL4248564 0.79 MEN1 (0.61) DHODHKDM4ESMN1; SMN2HSD17B10MEN1
SCHEMBL4248489 0.78 DHODH (0.64) DHODHKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4251041 0.76 KDM4E (0.69) DHODHKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4247643 0.75 ALDH1A1 (0.66) DHODHKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4252230 0.75 ALDH1A1 (0.69) DHODHKDM4ESMN1; SMN2HSD17B10MEN1
SCHEMBL15905538 0.75 PLA2G2A (0.56) DHODHKDM4EMEN1KMT2AALDH1A1

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 5 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-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
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 DHODH 554/4885KDM4E 3322/4885SMN1; SMN2 1142/4885

“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.