SCHEMBL6029671

SCHEMBL6029671

NC(=O)c1cccc2cc(-c3cccc(-c4ccccc4)c3)[nH]c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.68
IKBKB O14920 2/20 0.49
CHUK O15111 1/20 0.49
BRD4 O60885 1/20 0.49
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
PRSS1 P07477 1/20 0.48
PARP1 P09874 5/20 0.48
CDC7 O00311 2/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
PDPK1 O15530 1/20 0.45
HDAC11 Q96DB2 1/20 0.44
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43

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
SCHEMBL6029606 0.93 DHODH (0.78) DHODHIKBKBCHUKBRD4PARP1
SCHEMBL6028632 0.86 DHODH (0.56) DHODHIKBKBCHUKBRD4PARP1
SCHEMBL6028084 0.86 DHODH (0.59) DHODHIKBKBCHUKBRD4PARP1
SCHEMBL6028768 0.84 DHODH (0.55) DHODHBRD4PARP1CDC7PDPK1
SCHEMBL6029180 0.84 DHODH (0.55) DHODHBRD4PARP1CDC7CCNA2
SCHEMBL6028792 0.84 IKBKB (0.55) DHODHIKBKBCHUKBRD4PARP1
SCHEMBL6029836 0.81 DHODH (0.51) DHODHIKBKBCHUKBRD4PARP1
SCHEMBL6028814 0.81 PARP1 (0.57) DHODHIKBKBPARP1CDC7PDPK1
SCHEMBL6029417 0.81 HDAC11 (0.58) DHODHPLGPLAUPARP1PDPK1
SCHEMBL6028044 0.81 DHODH (0.61) DHODHBRD4PARP1CDC7CCNA2

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-7087637-B2 Substituted indoles which are PARP inhibitors BASF AG (DE) 2006-08-08 US disclosed
US-20040067949-A1 Substituted indoles which are parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-04-08 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-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 DHODH 674/4885IKBKB 480/4885CHUK 222/4885

“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.