SCHEMBL13701788

SCHEMBL13701788

CC(C)(C)NC(=O)c1cccc(C(=O)NCc2cccnc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.65
▸ LMNA P02545 4/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ HTT P42858 2/20 0.65
▸ MAPT P10636 1/20 0.65
▸ NPSR1 Q6W5P4 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ TSHR P16473 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ BLM P54132 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ NPC1 O15118 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ MAPK1 P28482 1/20 0.55

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
SCHEMBL13701749 0.86 RAB9A (0.59) LMNAALDH1A1HTTMAPTTSHR
SCHEMBL13702277 0.86 L3MBTL1 (0.64) L3MBTL1LMNAALDH1A1HTTMAPT
SCHEMBL14005562 0.85 ALDH1A1 (0.77) L3MBTL1LMNAALDH1A1HTTMAPT
SCHEMBL13701748 0.84 HDAC2 (0.68) LMNAALDH1A1HTTKMT2AGAA
SCHEMBL14030202 0.83 L3MBTL1 (0.64) L3MBTL1LMNAALDH1A1HTTMAPT
SCHEMBL13947589 0.83 LMNA (0.78) L3MBTL1LMNAALDH1A1HTTMAPT
SCHEMBL3647370 0.83 ALDH1A1 (0.64) L3MBTL1LMNAALDH1A1HTTMAPT
SCHEMBL7082686 0.81 TSHR (0.73) LMNAALDH1A1HTTMAPTNPSR1
SCHEMBL11626565 0.81 NPC1 (0.81) L3MBTL1LMNAALDH1A1HTTMAPT
SCHEMBL11628250 0.81 NPSR1 (0.67) L3MBTL1LMNAALDH1A1HTTMAPT

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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 — — US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 — — 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 (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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX L3MBTL1 3938/4885LMNA 1843/4885ALDH1A1 376/4885

“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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