SCHEMBL15919618

SCHEMBL15919618

NNC(=O)c1cc(-c2ccc(-c3ccc(OCCCNC(=O)C(F)(F)F)cc3)cc2)nc2ccncc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ALOX12 P18054 1/20 0.43
GAA P10253 4/20 0.43
PLA2G2A P14555 3/20 0.43
PRNP P04156 1/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL15904823 0.97 ALDH1A1 (0.44) TP53ALDH1A1KDM4ELMNAMAPT
SCHEMBL15905067 0.89 TP53 (0.50) TP53ALDH1A1KDM4ELMNAMAPT
SCHEMBL15904934 0.88 ALDH1A1 (0.48) TP53ALDH1A1KDM4ELMNAMAPT
SCHEMBL15919497 0.88 ALDH1A1 (0.42) TP53ALDH1A1KDM4ELMNAMAPT
SCHEMBL15904789 0.88 TP53 (0.49) TP53ALDH1A1KDM4ELMNAMAPT
SCHEMBL15919260 0.87 SUCNR1 (0.48) TP53ALDH1A1KDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL17313771 0.87 ALDH1A1 (0.47) TP53ALDH1A1KDM4ELMNAMAPT
SCHEMBL15905052 0.87 TP53 (0.48) TP53ALDH1A1KDM4ELMNAMAPT
SCHEMBL15905520 0.87 ALDH1A1 (0.42) TP53ALDH1A1KDM4ELMNAMAPT
SCHEMBL15905335 0.86 ALDH1A1 (0.47) TP53ALDH1A1KDM4ELMNAMAPT

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 9 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
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 TP53 2109/4885ALDH1A1 289/4885KDM4E 3322/4885

“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.