SCHEMBL6028892

SCHEMBL6028892

NC(=O)c1cccc2cc(-c3ccc(Cl)cc3)[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.59
PARP1 P09874 5/20 0.51
IKBKB O14920 2/20 0.50
CHUK O15111 2/20 0.50
HDAC11 Q96DB2 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49

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
SCHEMBL6028792 0.87 IKBKB (0.55) DHODHPARP1IKBKBCHUKHDAC11
SCHEMBL6028044 0.87 DHODH (0.61) DHODHPARP1HDAC11KDM4EALDH1A1
SCHEMBL6029606 0.87 DHODH (0.78) DHODHPARP1IKBKBCHUKHDAC11
SCHEMBL6028357 0.86 DHODH (0.59) DHODHIKBKBHDAC11MEN1KMT2A
SCHEMBL6028389 0.86 DHODH (0.59) DHODHPARP1HDAC11BTKPDPK1
SCHEMBL6027913 0.85 DHODH (0.56) DHODHPARP1HDAC11BTKPDPK1
SCHEMBL6029520 0.83 CDC7 (0.62) DHODHBTKPLK4MAP4K4PRKX
SCHEMBL6028084 0.83 DHODH (0.59) DHODHPARP1IKBKBCHUKHDAC11
SCHEMBL6029194 0.82 CDC7 (0.57) DHODHPARP1HDAC11KDM4ENPC1
SCHEMBL6029023 0.82 HDAC11 (0.73) DHODHPARP1IKBKBHDAC11BTK

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 674/4885PARP1 1/4885IKBKB 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.