SCHEMBL2197076

SCHEMBL2197076

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.51
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
PYCR1 P32322 1/20 0.39
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR2 P34972 1/20 0.36
FPR2 P25090 1/20 0.35
HSD11B1 P28845 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL1270470 1.00 ALOX5 (0.51) ALOX5CYP1A2SMN1; SMN2PYCR1LMNA
SCHEMBL2576026 1.00 ALOX5 (0.51) ALOX5CYP1A2SMN1; SMN2PYCR1LMNA
SCHEMBL1448846 0.84 ESR1 (0.42) ALOX5CYP1A2LMNAALDH1A1CYP2C19
SCHEMBL2429212 0.84 ESR1 (0.42) ALOX5CYP1A2LMNAALDH1A1CYP2C19
SCHEMBL20492498 0.82 ALOX5 (0.41) ALOX5CYP1A2SMN1; SMN2LMNAMEN1
SCHEMBL2198695 0.81 MAPT (0.39) ALOX5SMN1; SMN2PYCR1LMNAKMT2A
SCHEMBL8155052 0.81 SMN1; SMN2 (0.40) ALOX5CYP1A2SMN1; SMN2LMNAMEN1
SCHEMBL15609345 0.81 ALDH1A1 (0.43) ALOX5SMN1; SMN2MEN1KMT2APOLB
SCHEMBL6825359 0.80 SMN1; SMN2 (0.39) ALOX5CYP1A2SMN1; SMN2LMNAMEN1
SCHEMBL16243710 0.80 LMNA (0.42) ALOX5CYP1A2SMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865885-A Near infrared fluorescent compound for early diagnosis and treatment of glioma, and preparation method and application thereof 南京师范大学 2024-04-12 CN disclosed
EP-2114942-B1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS MSD KK (JP) 2012-10-31 EP disclosed
US-8084476-B2 Substituted methyl aryl or heteroaryl amide compounds RAQUALIA PHARMA INC. (JP) 2011-12-27 US disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
US-20090163558-A1 Substituted Methyl Aryl or Heteroaryl Amide Compounds RAQUALIA PHARMA INC. (JP) 2009-06-25 US disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 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 (4 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 ALOX5 4734/4885CYP1A2 4055/4885SMN1; SMN2 3452/4885
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 ALOX5 4003/4885CYP1A2 4534/4885SMN1; SMN2 4230/4885
US-20090163558-A1 Substituted Methyl Aryl or Heteroaryl Amide Compounds PTGER1, PTGER2, PTGER3 ALOX5 45/4885CYP1A2 48/4885SMN1; SMN2 1385/4885
US-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 ALOX5 1564/4885CYP1A2 17/4885SMN1; SMN2 411/4885

“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.