SCHEMBL20644584

SCHEMBL20644584

CC(C)c1ccc2[nH]c(CC(C)(C)C)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ DDAH1 O94760 1/20 0.36
▸ MLKL Q8NB16 1/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ PSMD14 O00487 1/20 0.34
▸ MMP2 P08253 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
SCHEMBL20644535 0.87 CACNA1H (0.40) MAPTKDM4ESCN10ADDAH1MLKL
SCHEMBL10299138 0.83 DDAH1 (0.54) MAPTKDM4ESCN10ADDAH1MLKL
SCHEMBL24027323 0.81 PKM (0.39) MAPTKDM4ESCN10ADDAH1MLKL
SCHEMBL24027318 0.81 SMN1; SMN2 (0.36) MAPTKDM4ESCN10ADDAH1MLKL
SCHEMBL18888470 0.80 SCN10A (0.33) MAPTKDM4ESCN10AMLKLRAB9A
SCHEMBL11955227 0.80 KMT2A (0.50) MAPTDDAH1RAB9AKMT2ANPC1
SCHEMBL11955019 0.78 TDP1 (0.47) DDAH1RAB9AKMT2ANPC1MEN1
SCHEMBL13319134 0.78 IDO1 (0.45) MAPTKDM4EDDAH1KMT2AMEN1
SCHEMBL5988285 0.76 SMN1; SMN2 (0.43) MAPTKDM4ESCN10AMLKLRAB9A
SCHEMBL19558098 0.75 ALPL (0.49) MAPTKDM4EDDAH1MLKLRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2507/4885KDM4E 3322/4885SCN10A 2209/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO MAPT 2507/4885KDM4E 3322/4885SCN10A 2209/4885

“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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