SCHEMBL6703368

SCHEMBL6703368

O=c1[nH]c2ccc(S(=O)(=O)NCC(NCCO)NCCO)cc2c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.67
PARG Q86W56 1/20 0.53
BRD4 O60885 12/20 0.50
RXFP1 Q9HBX9 1/20 0.48
BRAF P15056 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL6703371 0.76 PARG (0.53) PARP1PARGBRD4RXFP1
SCHEMBL6694764 0.72 PARP1 (1.00) PARP1PARGBRD4RXFP1KDM4E
Hydrochloric Acid SCHEMBL6686733 0.71 PARP1 (1.00) PARP1PARGBRD4RXFP1KDM4E
SCHEMBL6685976 0.70 PARP1 (0.81) PARP1PARGALDH1A1HPGD
Hydrochloric Acid SCHEMBL6686732 0.70 PARP1 (0.96) PARP1PARGBRD4RXFP1KDM4E
SCHEMBL6693963 0.65 BRD4 (0.81) BRD4
SCHEMBL6531769 0.64 NEK1 (0.58) HPGD
SCHEMBL12577305 0.63 BRAF (0.55) PARP1BRAFKDM4EALDH1A1HPGD
SCHEMBL15935048 0.62 PARP1 (0.64) PARP1BRD4KDM4EALDH1A1
SCHEMBL10988164 0.61 GAA (0.49) PARP1BRAFALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723733-B2 POLYMERASE INHIBITOR GUILFORD PHARMACEUTICALS, INC. 2004-04-20 US disclosed
US-20020006927-A1 Sulfonamide and carbamide derivatives of 6(5H)phenanthridinones and their uses EISAI INC. 2002-01-17 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-20020006927-A1 Sulfonamide and carbamide derivatives of 6(5H)phenanthridinones and their uses PARP1, PARP2, PARP6 PARP1 1/4885PARG 52/4885BRD4 77/4885

“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.