SCHEMBL6407854

SCHEMBL6407854

O=c1[nH]c2cc(N3CCOCC3)ccc2c2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.51
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
TNK1 Q13470 4/20 0.46
TNK2 Q07912 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ERCC1 P07992 1/20 0.46
DNASE1 P24855 1/20 0.46
FEN1 P39748 1/20 0.46
ERCC4 Q92889 1/20 0.46
TSHR P16473 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45

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
SCHEMBL6645304 0.97 PIK3CD (0.49) PARP1PIK3CDPIK3CAPIK3CBTNK1
Hydrochloric Acid SCHEMBL6405673 0.80 PARP1 (0.74) PARP1TNK1TNK2KCNH2PARP2
SCHEMBL2424124 0.77 PDE3A (0.56) PARP1PIK3CDPIK3CAPIK3CBALDH1A1
Hydrochloric Acid SCHEMBL6403655 0.77 PARP1 (0.60) PARP1KDM4EKCNH2PARP2NQO1
SCHEMBL21676438 0.76 OPRM1 (0.52) PIK3CDPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL6405680 0.75 PARP1 (0.64) PARP1TNK1TNK2KCNH2PARP2
SCHEMBL6406113 0.75 KMT2A (0.46) PARP1ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL1873116 0.74 MAPT (0.55) ALDH1A1KDM4ECASP1CASP7HSD17B10
SCHEMBL6555534 0.74 DRD2 (0.54) PARP1TNK1TNK2KCNH2PARP2
Hydrochloric Acid SCHEMBL6411449 0.73 DRD2 (0.53) PARP1TNK1TNK2KCNH2PARP2

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 1/4885PIK3CD 1105/4885PIK3CA 429/4885

“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.