SCHEMBL4890698

SCHEMBL4890698

N#Cc1ccc(-c2cn(Cc3ccccc3)c(=O)n2Cc2ccc(CP(=O)(OF)OF)c(Br)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.39
CYP11B2 P19099 7/20 0.39
AR P10275 2/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MMP13 P45452 1/20 0.35
MAPK14 Q16539 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP19A1 P11511 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
SCHEMBL4894160 0.88 MAPK10 (0.38) CYP11B1CYP11B2ARKDM4EALDH1A1
SCHEMBL4895489 0.87 ALDH1A1 (0.39) ALDH1A1MMP13HDAC1HDAC8HDAC6
SCHEMBL4898669 0.87 ALDH1A1 (0.39) ALDH1A1MMP13HDAC1HDAC8HDAC6
SCHEMBL4901306 0.84 ALDH1A1 (0.39) KDM4EALDH1A1MMP13POLBL3MBTL1
SCHEMBL4903709 0.84 MAPK10 (0.42) KDM4EALDH1A1MMP13L3MBTL1
SCHEMBL4901331 0.84 MAPK10 (0.42) KDM4EALDH1A1MMP13L3MBTL1
SCHEMBL4901582 0.83 F2RL3 (0.43) KDM4EALDH1A1L3MBTL1
SCHEMBL4899461 0.82 MAPT (0.36) CYP11B1CYP11B2ARKDM4EMAPK14
SCHEMBL4895554 0.81 MAPK8 (0.43) KDM4EALDH1A1MMP13
SCHEMBL4890705 0.81 PTPN1 (0.42) CYP11B1CYP11B2ARKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US 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-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases PPM1B, PPM1D, PTPRS CYP11B1 1103/4885CYP11B2 1411/4885AR 4107/4885

“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.