SCHEMBL6029052

SCHEMBL6029052

NC(=O)c1cccc2cc(-c3cccc4ccccc34)[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
CDC7 O00311 1/20 0.48
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PDPK1 O15530 1/20 0.45
ALPL P05186 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CDK5 Q00535 2/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
MAP4K4 O95819 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
LTK P29376 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
SCHEMBL6028896 0.83 CDK5 (0.45) DHODHCDC7KDM4EGAAALDH1A1
SCHEMBL6028912 0.83 ALDH1A1 (0.51) DHODHKDM4EGAAALDH1A1PDPK1
SCHEMBL5073378 0.82 KDM4E (0.49) CDC7KDM4EGAAALDH1A1ALPL
SCHEMBL6028761 0.80 CDC7 (0.49) DHODHCDC7KDM4EGAAALDH1A1
SCHEMBL6029569 0.79 DHODH (0.51) DHODHKDM4EGAAALDH1A1PDPK1
SCHEMBL6029606 0.78 DHODH (0.78) DHODHCDC7KDM4EGAAALDH1A1
SCHEMBL26053056 0.78 GSK3B (0.51) KDM4EGAAALDH1A1ALPLSMN1; SMN2
SCHEMBL6028084 0.77 DHODH (0.59) DHODHCDC7KDM4EGAAALDH1A1
SCHEMBL6029671 0.77 DHODH (0.68) DHODHCDC7KDM4EGAAALDH1A1
SCHEMBL31621277 0.76 BCAT2 (0.55) CDC7KDM4EGAAALDH1A1POLB

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 674/4885CDC7 1138/4885KDM4E 496/4885

“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.