SCHEMBL6089904

SCHEMBL6089904

ON=c1ncc2ccc3ncccc3c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.36
GRM4 Q14833 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
ERN1 O75460 1/20 0.35
CYP19A1 P11511 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1982985 0.77 CYP3A4 (0.47) CYP3A4KDM4EMAPTLMNASMN1; SMN2
SCHEMBL31615135 0.71 MAPT (0.52) CYP3A4KDM4EMAPTLMNASMN1; SMN2
SCHEMBL2046958 0.71 MAPT (0.52) CYP3A4KDM4EMAPTLMNASMN1; SMN2
SCHEMBL30538321 0.71 MAPT (0.52) CYP3A4KDM4EMAPTLMNASMN1; SMN2
SCHEMBL28718999 0.70 MAPT (0.50) CYP3A4KDM4EMAPTLMNASMN1; SMN2
SCHEMBL4464552 0.70 MAPT (0.50) CYP3A4KDM4EMAPTLMNASMN1; SMN2
Iodide SCHEMBL10698952 0.70 MAPT (0.50) CYP3A4KDM4EMAPTLMNASMN1; SMN2
Iodide SCHEMBL10698955 0.70 MAPT (0.50) CYP3A4KDM4EMAPTLMNASMN1; SMN2
Bromide SCHEMBL10699150 0.70 MAPT (0.50) CYP3A4KDM4EMAPTLMNASMN1; SMN2
Bromide SCHEMBL10699155 0.70 MAPT (0.50) CYP3A4KDM4EMAPTLMNASMN1; SMN2

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-20060004028-A1 Novel PARP inhibitor MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1582520-A1 NOVEL PARP INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 EP 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-20060004028-A1 Novel PARP inhibitor PARP1, PARP2, PARP11 CYP3A4 3229/4885KDM4E 812/4885MAPT 497/4885

“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.