SCHEMBL6406734

SCHEMBL6406734

O=c1[nH]c2cc(CN3CCCCC3)ccc2c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.77
KCNH2 Q12809 1/20 0.60
PARP2 Q9UGN5 1/20 0.60
CDK4 P11802 3/20 0.54
CCND1 P24385 3/20 0.54
CDK2 P24941 1/20 0.54
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ACHE P22303 1/20 0.47

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
SCHEMBL6554484 0.89 PARP1 (0.66) PARP1KCNH2PARP2
Hydrochloric Acid SCHEMBL6404360 0.88 PARP1 (0.65) PARP1KCNH2PARP2
SCHEMBL31061696 0.87 PARP1 (1.00) PARP1KCNH2PARP2CDK4CCND1
Hydrochloric Acid SCHEMBL6406540 0.86 PARP1 (0.97) PARP1KCNH2PARP2CDK4CCND1
SCHEMBL6554247 0.85 PARP1 (0.74) PARP1KCNH2PARP2
Hydrochloric Acid SCHEMBL6403910 0.84 PARP1 (0.72) PARP1KCNH2PARP2
Hydrochloric Acid SCHEMBL6408278 0.82 PARP1 (0.66) PARP1KCNH2PARP2KDM4EALDH1A1
SCHEMBL6404621 0.81 PARP1 (0.68) PARP1KCNH2PARP2KDM4E
Hydrochloric Acid SCHEMBL6404822 0.80 PARP1 (0.64) PARP1KCNH2PARP2
Hydrochloric Acid SCHEMBL6554788 0.80 PARP1 (0.67) PARP1KCNH2PARP2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171101-A1 Phenanthridinones as parp inhibitors FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-08-04 US disclosed
EP-1487800-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP disclosed
WO-2003080581-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-02 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-20050171101-A1 Phenanthridinones as parp inhibitors PARP1, PARP11, PARP2 PARP1 1/4885KCNH2 2357/4885PARP2 3/4885

“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.