SCHEMBL13702147

SCHEMBL13702147

CC(C)(C)NCc1cccc(C(=O)Nc2cccnc2)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ LMNA P02545 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ NAMPT P43490 6/20 0.56
▸ TRPV1 Q8NER1 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP19A1 P11511 1/20 0.52

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
SCHEMBL22275143 0.83 LMNA (0.59) TSHRMAPK1ALDH1A1LMNAHIF1A
SCHEMBL13701744 0.81 ALDH1A1 (0.64) TSHRMAPK1ALDH1A1LMNAHIF1A
SCHEMBL12977867 0.81 ALDH1A1 (0.60) TSHRMAPK1ALDH1A1LMNAHIF1A
SCHEMBL30533390 0.80 LMNA (0.81) TSHRMAPK1ALDH1A1LMNAHIF1A
SCHEMBL12077633 0.79 NAMPT (0.82) MAPK1ALDH1A1LMNANPC1RAB9A
SCHEMBL16881794 0.79 NPC1 (0.75) TSHRALDH1A1LMNAHIF1ANPC1
SCHEMBL14438266 0.78 NPC1 (0.55) TSHRMAPK1ALDH1A1LMNANPC1
SCHEMBL1078986 0.77 NAMPT (0.78) MAPK1LMNANAMPTMAPTL3MBTL1
SCHEMBL996338 0.77 TSHR (0.67) TSHRMAPK1ALDH1A1LMNANPC1
SCHEMBL31661935 0.77 BRAF (0.79) ALDH1A1LMNAHIF1ANPC1NAMPT

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 TSHR 3976/4885MAPK1 3943/4885ALDH1A1 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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