SCHEMBL6029396

SCHEMBL6029396

NC(=O)c1cccc2cc(-c3ccc4[nH]ccc4c3)[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.54
DHODH Q02127 1/20 0.50
IKBKB O14920 10/20 0.47
CHUK O15111 9/20 0.47
PI4K2A Q9BTU6 1/20 0.44
HDAC11 Q96DB2 1/20 0.43
AR P10275 1/20 0.43
NPC1 O15118 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL6028084 0.83 DHODH (0.59) PDPK1DHODHIKBKBCHUKHDAC11
SCHEMBL5074227 0.82 PI4K2A (0.47) PDPK1DHODHIKBKBCHUKPI4K2A
SCHEMBL6029606 0.79 DHODH (0.78) PDPK1DHODHIKBKBCHUKHDAC11
SCHEMBL6028044 0.79 DHODH (0.61) PDPK1DHODHHDAC11
SCHEMBL6028389 0.78 DHODH (0.59) PDPK1DHODHHDAC11
SCHEMBL6029671 0.78 DHODH (0.68) PDPK1DHODHIKBKBCHUKHDAC11
SCHEMBL6028632 0.78 DHODH (0.56) PDPK1DHODHIKBKBCHUKHDAC11
SCHEMBL6028357 0.78 DHODH (0.59) PDPK1DHODHIKBKBHDAC11
SCHEMBL6028892 0.78 DHODH (0.59) PDPK1DHODHIKBKBCHUKHDAC11
SCHEMBL6029569 0.77 DHODH (0.51) PDPK1DHODHNPC1CA12CA1

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 PDPK1 235/4885DHODH 674/4885IKBKB 480/4885

“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.