SCHEMBL3550509

SCHEMBL3550509

C[C@@H](c1ccc(N(C)CCN(C)C)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
CNR2 P34972 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MLYCD O95822 1/20 0.35
UTS2R Q9UKP6 2/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
OPRD1 P41143 2/20 0.33
HPGD P15428 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL3555472 0.78 UTS2R (0.37) UTS2RKDM4EHPGDHTR2AHRH1
SCHEMBL2197629 0.77 KDM4E (0.43) ALDH1A1KDM4EATM
SCHEMBL2202175 0.76 ALDH1A1 (0.49) L3MBTL1ALDH1A1MLYCDKDM4EOPRD1
SCHEMBL2429212 0.76 ESR1 (0.42) ALDH1A1
SCHEMBL1448846 0.76 ESR1 (0.42) ALDH1A1
SCHEMBL2239284 0.75 PPARA (0.41) ALDH1A1TSHRKDM4EHTR2A
SCHEMBL2107176 0.75 PPARA (0.41) ALDH1A1TSHRKDM4EHTR2A
SCHEMBL8921032 0.74 SMN1; SMN2 (0.41) L3MBTL1ALDH1A1KDM4EATMOPRD1
SCHEMBL2576026 0.74 ALOX5 (0.51) CNR2ALDH1A1
SCHEMBL2197076 0.74 ALOX5 (0.51) CNR2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A L3MBTL1 1821/4885CNR2 4086/4885ALDH1A1 4349/4885

“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.