SCHEMBL3555287

SCHEMBL3555287

C[C@@H](c1ccc(N2CCCN(C)CC2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.46
LMNA P02545 2/20 0.44
RORC P51449 3/20 0.43
NCF1 P14598 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
F10 P00742 6/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2427683 0.95 RORC (0.46) LMNARORCMEN1KMT2AHDAC3
SCHEMBL3555656 0.80 ADRA2A (0.40) RORC
SCHEMBL3554859 0.80 MAPK1 (0.44) LMNARORCTP53SMN1; SMN2
SCHEMBL3557375 0.77 CHRM1 (0.49) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL2197716 0.76 GAA (0.57) MEN1KMT2A
SCHEMBL3552127 0.75 MCHR1 (0.47) RORC
SCHEMBL11989517 0.74 CHKA (0.53) CHKALMNANCF1KMT2AHDAC3
SCHEMBL13504603 0.74 KDM4E (0.39)
SCHEMBL2198579 0.74 KDM4E (0.39)
SCHEMBL15247182 0.74 CHKA (0.58) CHKALMNANCF1KMT2AF10

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 CHKA 412/4885LMNA 2017/4885RORC 2839/4885

“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.