SCHEMBL4901320

SCHEMBL4901320

CCC(C)OP(=O)(O)C(F)(F)c1ccc(CN2CCN(Cc3ccccc3)C2=O)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN2 P17706 2/20 0.38
PTPN1 P18031 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PRMT5 O14744 3/20 0.35
WDR77 Q9BQA1 3/20 0.35
HDAC1 Q13547 1/20 0.35
KCNH2 Q12809 3/20 0.35
DRD3 P35462 2/20 0.35
DRD2 P14416 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
SCHEMBL3748555 0.84 KDM4E (0.37) CYP2D6CYP2C9CYP2C19PTPN2PTPN1
SCHEMBL3742676 0.84 KDM4E (0.37) PTPN2PTPN1ALDH1A1KDM4EHDAC1
SCHEMBL4894132 0.83 PTPN1 (0.50) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL3742019 0.83 KDM4E (0.37) PTPN2PTPN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3740736 0.82 ALDH1A1 (0.39) CYP2D6CYP2C9CYP2C19PTPN2PTPN1
SCHEMBL3732032 0.82 PTPN1 (0.37) PTPN2PTPN1KDM4EPTPRC
SCHEMBL3746469 0.81 HTT (0.46) KMT2ASMN1; SMN2KCNH2LMNA
SCHEMBL4901312 0.81 POLB (0.40) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL3736625 0.80 PTPN1 (0.41) PTPN2PTPN1PTPRC
SCHEMBL3741682 0.80 PTPN1 (0.41) PTPN2PTPN1PTPRC

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 POLB 2577/4885CYP2D6 3910/4885CYP2C9 3961/4885

“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.