SCHEMBL13702136

SCHEMBL13702136

CCCOc1cccc(C(=O)NC(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
MAOB P27338 1/20 0.65
NR1H4 Q96RI1 1/20 0.62
SMPD1 P17405 3/20 0.60
ADRB2 P07550 1/20 0.59
ADRB1 P08588 1/20 0.59
ADRB3 P13945 1/20 0.59
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
KAT6A Q92794 1/20 0.58
MEN1 O00255 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
MAPT P10636 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57

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
SCHEMBL13753371 0.88 ALDH1A1 (0.71) KMT2AMAOBNR1H4ALDH1A1SMN1; SMN2
SCHEMBL8803623 0.88 KMT2A (0.58) KMT2AMAOBNR1H4SMPD1ADRB2
SCHEMBL11213011 0.85 KMT2A (0.69) KMT2ANR1H4SMPD1ALDH1A1SMN1; SMN2
SCHEMBL13702374 0.85 KMT2A (0.69) KMT2ANR1H4SMPD1ALDH1A1SMN1; SMN2
SCHEMBL24850053 0.84 KMT2A (0.61) KMT2AMAOBNR1H4SMPD1ADRB2
SCHEMBL13701720 0.81 LMNA (0.67) KMT2ANR1H4SMPD1ALDH1A1SMN1; SMN2
SCHEMBL27913517 0.81 KMT2A (0.78) KMT2ANR1H4SMPD1ADRB2ADRB1
SCHEMBL13702128 0.80 MAOB (0.57) MAOBLMNA
SCHEMBL2340354 0.80 KMT2A (0.71) KMT2ANR1H4SMPD1ADRB2ADRB1
SCHEMBL13702183 0.80 GPR132 (0.73) KMT2AMAOBNR1H4SMPD1MEN1

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 1 patent. 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

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 KMT2A 3792/4885MAOB 475/4885NR1H4 346/4885

“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.