SCHEMBL20639883

SCHEMBL20639883

O=c1n(-c2ccc(N3CCN(c4ccc(Br)cc4)CC3)cc2)cnn1CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
PPARG P37231 3/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
DGAT1 O75907 2/20 0.40
CCR1 P32246 1/20 0.38
HSD17B3 P37058 1/20 0.35
AKR1C3 P42330 1/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
IGF1R P08069 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34

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
SCHEMBL20639837 0.87 MAPT (0.37) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL30269995 0.87 MAPT (0.37) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL9039853 0.87 MAPT (0.55) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL20639938 0.87 PPARD (0.46) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL20640025 0.85 PPARD (0.47) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL9118588 0.85 METAP2 (0.42) PPARDPPARAMAPTSMN1; SMN2KDM4E
SCHEMBL9384752 0.84 MAPT (0.58) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL20639871 0.83 MAPT (0.49) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL20639669 0.79 MAPT (0.38) PPARDPPARAPPARGMAPTSMN1; SMN2
SCHEMBL20639945 0.78 MAPT (0.42) PPARDPPARAPPARGMAPTSMN1; SMN2

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
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
CN-108779094-B Metalloenzyme inhibitor compounds NQP 1598公司 2021-11-16 CN disclosed
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 US 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 (2 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-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO PPARD 2769/4885PPARA 3103/4885PPARG 2205/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO PPARD 2769/4885PPARA 3103/4885PPARG 2205/4885

“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.