SCHEMBL13873202

SCHEMBL13873202

COc1ccc(CC2CCN(C(=O)NC(C)(C)C)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CCR3 P51677 4/20 0.49
CSNK1E P49674 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
CHRM2 P08172 1/20 0.45
POLB P06746 1/20 0.44
ACP1 P24666 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
SCHEMBL13551812 0.85 TACR3 (0.61) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL13873798 0.82 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL13873630 0.79 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL13873636 0.78 MEN1 (0.61) SMN1; SMN2MEN1KMT2ACCR3
SCHEMBL4775057 0.78 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2ACCR3ALDH1A1
SCHEMBL24449599 0.78 GLA (0.53) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13873044 0.77 MEN1 (0.67) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL13873199 0.77 SPR (0.54) SMN1; SMN2MEN1KMT2ACSNK1EALDH1A1
SCHEMBL4958207 0.77 MEN1 (0.65) SMN1; SMN2MEN1KMT2ACCR3LMNA
SCHEMBL13873803 0.76 MEN1 (0.56) SMN1; SMN2MEN1KMT2ACCR3LMNA

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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 SMN1; SMN2 4277/4885MEN1 4174/4885KMT2A 3145/4885

“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.