SCHEMBL4597179

SCHEMBL4597179

C[C@@H]1NC(=O)[C@@H](C)N(Cc2ccccc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.49
SMO Q99835 3/20 0.47
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
EP300 Q09472 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL102314 1.00 EHMT2 (0.49) EHMT2SMOMMP1MMP3MMP9
SCHEMBL4187223 1.00 EHMT2 (0.49) EHMT2SMOMMP1MMP3MMP9
SCHEMBL30974749 0.92 SMO (0.47) EHMT2SMOMMP1MMP3MMP9
SCHEMBL5134174 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL5972097 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL5064255 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL5061447 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL5064737 0.84 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL23040245 0.83 MMP1 (0.48) EHMT2SMOMMP1MMP3MMP9
SCHEMBL29270893 0.83 MMP1 (0.48) EHMT2SMOMMP1MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1122242-B1 CYANOPHENYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-01-16 EP disclosed
US-20050124625-A1 Piperazine derivatives and their use as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2005-06-09 US disclosed
WO-2005040136-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-06 WO disclosed
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US disclosed
US-6673799-B1 INHIBITS BINDING TO ANDROGEN RECEPTOR; ANTIANDROGEN YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-01-06 US disclosed
EP-1122242-A1 CYANOPHENYL DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2001-08-08 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 (2 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-20050124625-A1 Piperazine derivatives and their use as modulators of nuclear hormone receptor function NR5A2, NR4A2, GPER1 EHMT2 701/4885SMO 1459/4885MMP1 4578/4885
US-20040010037-A1 Cyanophenyl derivative BPHL, AR, KLK3 EHMT2 578/4885SMO 287/4885MMP1 1643/4885

“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.