SCHEMBL20134962

SCHEMBL20134962

CCC1(c2ccc(C(=O)N3CCN(c4ncc(C)cc4C)CC3)cc2)CC(=O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CFTR P13569 2/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
SLC6A7 Q99884 1/20 0.36
MAPT P10636 4/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 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
SCHEMBL20135468 1.00 CYP19A1 (0.42) CYP19A1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29689169 1.00 CYP19A1 (0.42) CYP19A1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20134960 1.00 CYP19A1 (0.42) CYP19A1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20135291 0.89 HPGD (0.38) ALDH1A1KDM4EMEN1KMT2ACFTR
SCHEMBL29688381 0.89 HPGD (0.38) ALDH1A1KDM4EMEN1KMT2ACFTR
SCHEMBL20135710 0.89 HPGD (0.38) ALDH1A1KDM4EMEN1KMT2ACFTR
SCHEMBL20135298 0.89 HPGD (0.38) ALDH1A1KDM4EMEN1KMT2ACFTR
SCHEMBL20809455 0.89 CYP19A1 (0.41) CYP19A1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20809559 0.86 CYP19A1 (0.43) CYP19A1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20135413 0.86 ALDH1A1 (0.42) CYP19A1ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 CYP19A1 2754/4885ALDH1A1 584/4885KDM4E 725/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CYP19A1 2331/4885ALDH1A1 610/4885KDM4E 723/4885

“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.