SCHEMBL15905433

SCHEMBL15905433

NNC(=O)c1cc(-c2ccc(-c3ccncc3)cc2)nc2ccncc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.55
GAA P10253 5/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 4/20 0.55
LMNA P02545 1/20 0.55
P4HB P07237 1/20 0.55
CYP2C9 P11712 3/20 0.54
CYP3A4 P08684 3/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 2/20 0.48
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL15919598 0.94 DHODH (0.56) DHODHGAAMAPTALDH1A1LMNA
SCHEMBL15905546 0.91 GAA (0.53) DHODHGAAMAPTALDH1A1LMNA
SCHEMBL15905561 0.90 DHODH (0.62) DHODHGAAMAPTALDH1A1LMNA
SCHEMBL15905194 0.89 ALDH1A1 (0.53) DHODHGAAMAPTALDH1A1LMNA
SCHEMBL15905325 0.88 ALDH1A1 (0.49) DHODHGAAMAPTALDH1A1LMNA
SCHEMBL15919612 0.88 MAPT (0.49) DHODHGAAMAPTALDH1A1LMNA
SCHEMBL15904989 0.88 MCL1 (0.56) DHODHGAAMAPTALDH1A1LMNA
SCHEMBL15905264 0.87 KMT2A (0.57) GAAMAPTALDH1A1LMNAP4HB
SCHEMBL15905069 0.87 GAA (0.48) DHODHGAAMAPTALDH1A1LMNA
SCHEMBL15904915 0.87 MAPT (0.48) DHODHGAAMAPTALDH1A1LMNA

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 13 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
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP claimed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO 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
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO 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 554/4885GAA 6/4885MAPT 2507/4885

“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.