SCHEMBL6495073

SCHEMBL6495073

NC(OC(=O)C(=O)OC(N)C(CSc1cc(Cl)ccc1Cl)c1ncco1)C(CSc1cc(Cl)ccc1Cl)c1ncco1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.35
TDP1 Q9NUW8 2/20 0.34
NR2F2 P24468 1/20 0.33
KMT2A Q03164 4/20 0.32
POLB P06746 3/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
PRNP P04156 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMO O15229 1/20 0.31
NTSR1 P30989 1/20 0.31

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
SCHEMBL6497954 0.81 CTSA (0.39) CTSAKMT2AMEN1MAPTHPGD
SCHEMBL6495511 0.76 CYP1A2 (0.33) CTSATDP1NR2F2CYP1A2CYP3A4
Oxalic Acid SCHEMBL6495070 0.69 CYP2D6 (0.41) CTSATDP1PRNPRXFP1KDM4E
SCHEMBL6495507 0.67 CYP2D6 (0.41) CTSA
Oxalic Acid SCHEMBL6497943 0.62 NOS2 (0.47) CTSAPOLBKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6490849 0.61 NOS2 (0.39) CTSAKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL11214254 0.61 TDP1 (0.56) TDP1NR2F2KMT2APOLBMEN1
SCHEMBL6490842 0.60 NOS2 (0.47) CTSAKMT2APOLBMEN1ALDH1A1
SCHEMBL6542305 0.59 TDP1 (0.57) TDP1NR2F2KMT2APOLBMEN1
SCHEMBL4273513 0.59 TDP1 (0.57) TDP1NR2F2KMT2APOLBMEN1

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-6953797-B2 Use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-10-11 US disclosed
EP-1263718-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030073685-A1 Novel use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-17 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-20030073685-A1 Novel use of phenylheteroalkylamine derivatives CYP1A1, CYP1A2, CYP2E1 CTSA 1382/4885TDP1 1527/4885NR2F2 2979/4885

“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.