SCHEMBL20644611

SCHEMBL20644611

Cc1ccc(-n2ccn(CC(F)(F)F)c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ TP53 P04637 6/20 0.39
▸ THRB P10828 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ELANE P08246 2/20 0.36
▸ F2 P00734 1/20 0.36
▸ CTSG P08311 1/20 0.36
▸ CMA1 P23946 1/20 0.36
▸ CTRC Q99895 1/20 0.36
▸ RGS4 P49798 1/20 0.36
▸ RGS8 P57771 1/20 0.36
▸ LMNA P02545 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ COMT P21964 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33

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
SCHEMBL25685423 0.83 MAPT (0.43) MAPTRXFP1TP53THRBGAA
SCHEMBL25160801 0.81 MAPT (0.32) MAPTRXFP1TP53LMNA
SCHEMBL25160147 0.77 MAPT (0.38) MAPTGAA
SCHEMBL25160404 0.77 ALDH1A1 (0.43) MAPTRXFP1TP53THRBGAA
SCHEMBL20644489 0.71 LIPG (0.34) F2
SCHEMBL17664675 0.70 RGS4 (0.47) ELANEF2CTSGCMA1CTRC
SCHEMBL14889068 0.68 MAPT (0.39) MAPTTP53GAALMNAPOLB
SCHEMBL15046551 0.67 KDM4E (0.53) MAPTRXFP1TP53POLB
SCHEMBL13975261 0.66 DRD2 (0.39) MAPTTP53
SCHEMBL17660251 0.66 ELANE (0.41) ELANEF2CTSGCMA1CTRC

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 3 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
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 MAPT 2507/4885RXFP1 4433/4885TP53 2109/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO MAPT 2507/4885RXFP1 4433/4885TP53 2109/4885

“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.

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