SCHEMBL6497954

SCHEMBL6497954

NC(OC(=O)C(=O)OC(N)C(COc1cc(Cl)ccc1Cl)c1ncco1)C(COc1cc(Cl)ccc1Cl)c1ncco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.39
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMO O15229 1/20 0.34
TRPV4 Q9HBA0 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
SCHEMBL6495073 0.81 CTSA (0.35) CTSAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL6490849 0.76 NOS2 (0.39) CTSAMEN1KMT2ACRHBPCRHR2
Oxalic Acid SCHEMBL6497943 0.70 NOS2 (0.47) CTSASMN1; SMN2LMNAMRGPRX4ALDH1A1
SCHEMBL11594971 0.63 KMT2A (0.57) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL875817 0.62 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNAMRGPRX4
Oxalic Acid SCHEMBL6495070 0.61 CYP2D6 (0.41) CTSAKDM4ECYP2D6
SCHEMBL15393164 0.61 MEN1 (0.58) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL11593849 0.61 KMT2A (0.58) MEN1KMT2ASMN1; SMN2LMNAMRGPRX4
SCHEMBL9730830 0.60 MEN1 (0.46) MEN1KMT2AHPGDSMN1; SMN2LMNA
SCHEMBL9722688 0.60 TDP1 (0.54) MEN1KMT2ACRHBPCRHR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 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-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 CTSA 1416/4885MEN1 4489/4885KMT2A 3267/4885

“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.