SCHEMBL13875951

SCHEMBL13875951

CC(C)(C)C(=O)c1ccc(OCCN2CCOCC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ CD274 Q9NZQ7 1/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL13701786 0.85 CD274 (0.51) GAASMN1; SMN2KDM4EALDH1A1CD274
SCHEMBL14058966 0.85 KDM4E (0.55) GAASMN1; SMN2KDM4EALDH1A1CD274
SCHEMBL13702364 0.83 CD274 (0.53) GAASMN1; SMN2KDM4EALDH1A1CD274
SCHEMBL12632239 0.83 SMN1; SMN2 (0.70) GAASMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL13875983 0.82 SMN1; SMN2 (0.48) GAASMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL13702310 0.81 CD274 (0.57) GAASMN1; SMN2KDM4EALDH1A1CD274
SCHEMBL13702141 0.81 HRH3 (0.60) GAASMN1; SMN2KDM4EALDH1A1CD274
SCHEMBL26172916 0.80 OPRM1 (0.44) KDM4E
SCHEMBL9906399 0.79 SIGMAR1 (0.50) KDM4EALDH1A1POLBTSHR
SCHEMBL29036808 0.77 ATM (0.51) KDM4EALDH1A1KMT2AMEN1ATM

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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 — — US disclosed
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 — — 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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 GAA 1180/4885SMN1; SMN2 4349/4885KDM4E 992/4885

“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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