SCHEMBL13702182

SCHEMBL13702182

CC(C)NC(=O)c1ccc(=O)n(CC(=O)NCCN2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HRH3 Q9Y5N1 1/20 0.51
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.48
CD274 Q9NZQ7 4/20 0.48
HTR1A P08908 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
KCNH2 Q12809 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL13702398 0.88 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MEN1CYP3A4TSHR
SCHEMBL13702340 0.87 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MEN1CYP3A4TSHR
SCHEMBL14007204 0.87 HRH3 (0.58) ALDH1A1SMN1; SMN2HRH3KDM4EPOLB
SCHEMBL13701823 0.85 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MEN1CYP3A4TSHR
SCHEMBL14007196 0.81 HRH3 (0.47) ALDH1A1SMN1; SMN2HRH3MEN1TSHR
SCHEMBL13702173 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TSHRKMT2AKDM4E
SCHEMBL13702178 0.78 HRH3 (0.51) ALDH1A1SMN1; SMN2HRH3TSHRCYP2C19
SCHEMBL13702164 0.78 HRH3 (0.48) ALDH1A1SMN1; SMN2HRH3CYP3A4TSHR
SCHEMBL13702184 0.77 HRH3 (0.50) ALDH1A1SMN1; SMN2HRH3MEN1TSHR
SCHEMBL13702165 0.77 BRD4 (0.49) ALDH1A1SMN1; SMN2CYP2C19KDM4EPOLB

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 ALDH1A1 376/4885SMN1; SMN2 4398/4885HRH3 127/4885

“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.