SCHEMBL15919374

SCHEMBL15919374

O=C(O)c1cc(-c2ccc(Br)c(F)c2)nc2ccncc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
DHODH Q02127 7/20 0.50
EPRS1 P07814 4/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AURKA O14965 1/20 0.46

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
SCHEMBL15905102 0.86 EPRS1 (0.64) ALDH1A1GAADHODHEPRS1MEN1
SCHEMBL4252230 0.83 ALDH1A1 (0.69) ALDH1A1GAADHODHMEN1KMT2A
SCHEMBL15919487 0.82 DHODH (0.53) ALDH1A1GAADHODHMEN1KMT2A
SCHEMBL15919376 0.81 ACACB (0.43) ALDH1A1GAAMEN1KMT2A
SCHEMBL4254130 0.80 ALDH1A1 (0.61) ALDH1A1GAADHODHMEN1KMT2A
SCHEMBL4251041 0.79 KDM4E (0.69) ALDH1A1GAADHODH
SCHEMBL4247643 0.78 ALDH1A1 (0.66) ALDH1A1GAADHODH
SCHEMBL4248489 0.78 DHODH (0.64) ALDH1A1GAADHODH
SCHEMBL4251010 0.78 DHODH (0.61) ALDH1A1GAADHODH
SCHEMBL4245149 0.76 KDM4E (0.64) ALDH1A1GAADHODH

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 ALDH1A1 289/4885GAA 6/4885DHODH 554/4885

“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.