SCHEMBL6841606

SCHEMBL6841606

O=C(O)c1cccc2[nH]c(CCl)nc12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ DHODH Q02127 17/20 0.55
▸ PARP1 P09874 2/20 0.54

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
Hydrochloric Acid SCHEMBL4885974 0.98 KDM4E (0.55) KDM4EHPGDDHODHPARP1
SCHEMBL6843640 0.88 PARP1 (0.44) KDM4EHPGDDHODHPARP1
SCHEMBL6841122 0.86 PARP1 (0.61) DHODHPARP1
SCHEMBL4260461 0.86 KDM4E (0.57) KDM4EHPGDDHODHPARP1
SCHEMBL15808131 0.84 KDM4E (0.56) KDM4EHPGDDHODHPARP1
SCHEMBL6841804 0.82 PKN1 (0.57) KDM4EPARP1
SCHEMBL9224298 0.82 KDM4E (0.54) KDM4EHPGDDHODHPARP1
SCHEMBL7474954 0.81 KDM4E (0.52) KDM4EHPGDDHODHPARP1
SCHEMBL6948954 0.81 NPC1 (0.55) KDM4EHPGDDHODHPARP1
SCHEMBL7485575 0.80 CHEK1 (0.52) KDM4EPARP1

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-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase AGOURON PHARMACEUTICALS, INC. 2004-02-19 — — US disclosed
WO-2003106430-A1 BENZIMIDAZOLE INHIBITORS OF POLY(ADP-RIBOSYL) POLYMERASE PFIZER INC. (US) 2003-12-24 — — WO 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-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase PARP1, PARP11, PARP2 KDM4E 2460/4885HPGD 885/4885DHODH 1232/4885

“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.

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