SCHEMBL5020161

SCHEMBL5020161

FC(F)(F)c1ccc2ncccc2c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP3A4 P08684 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
HTT P42858 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
RPS6KA5 O75582 1/20 0.40
NR4A2 P43354 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SLC40A1 Q9NP59 2/20 0.37
ERN1 O75460 1/20 0.37
NCOA1 Q15788 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL14083482 0.82 MAPT (0.52) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL16132475 0.82 MAPT (0.52) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL16110778 0.79 MAPT (0.52) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL16132305 0.76 MAPT (0.48) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL827601 0.76 MAPT (0.52) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL8724089 0.75 MAPT (0.52) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL14323414 0.75 MAPT (0.62) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL18635190 0.75 MAPT (0.47) MAPTKDM4ECYP3A4MEN1KMT2A
Ammonia Solution, Strong SCHEMBL11973872 0.74 MAPT (0.50) MAPTKDM4ECYP3A4MEN1KMT2A
SCHEMBL22401514 0.74 NR4A2 (0.57) MAPTKDM4ERPS6KA5NR4A2SLC40A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019182743-A1 COMPOSITIONS FOR THE TREATMENT OF BRAIN TUMORS INNOCRIN PHARMACEUTICALS, INC. (US) 2019-09-26 WO disclosed
EP-3483147-A1 METALLOENZYME INHIBITOR COMPOUNDS Innocrin Pharmaceuticals, Inc. (US) 2019-05-15 EP disclosed
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
WO-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 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 (5 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-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MAPT 2507/4885KDM4E 3322/4885CYP3A4 558/4885
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MAPT 2507/4885KDM4E 3322/4885CYP3A4 558/4885
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MAPT 2507/4885KDM4E 3322/4885CYP3A4 558/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MAPT 2507/4885KDM4E 3322/4885CYP3A4 558/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MAPT 2507/4885KDM4E 3322/4885CYP3A4 558/4885

“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.