SCHEMBL6985233

SCHEMBL6985233

COc1cnc2c3c(ccc2c1)C(=O)C(C(=O)O)C=N3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
F2 P00734 1/20 0.34
GLA P06280 1/20 0.34
HPGDS O60760 7/20 0.33
ABL1 P00519 1/20 0.33
PARP1 P09874 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGS1 P23219 3/20 0.32
AKR1C3 P42330 3/20 0.32
AKR1C2 P52895 3/20 0.32
PTGS2 P35354 3/20 0.31
CDC42 P60953 1/20 0.31
RAC1 P63000 1/20 0.31
TSHR P16473 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31

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
SCHEMBL6985489 0.86 PTPN7 (0.39) KDM4EALDH1A1HPGD
SCHEMBL965376 0.83
SCHEMBL6981270 0.83 PSMD14 (0.43)
SCHEMBL6984771 0.81 PSMD14 (0.43) HPGDSPARP1
SCHEMBL6979585 0.80 NPC1 (0.34) KDM4EALDH1A1GLAABL1HSD17B10
SCHEMBL6985185 0.79 HPGDS (0.36) HPGDSPARP1
SCHEMBL7799355 0.78 HPGD (0.34) ALDH1A1HPGD
SCHEMBL6985495 0.77 NPC1 (0.45) ALDH1A1HPGDTSHR
SCHEMBL7799103 0.77 DGAT1 (0.36)
SCHEMBL7801069 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027351-B1 PHENANTHROLINE DERIVATIVES FIBROGEN INC (US) 2003-12-03 EP claimed
EP-1027351-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 2000-08-16 EP claimed
WO-1999021860-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 1999-05-06 WO claimed
EP-1027351-B1 PHENANTHROLINE DERIVATIVES FIBROGEN INC (US) 2003-12-03 EP disclosed
US-20010001101-A1 Phenanthroline derivatives ZENECA LIMITED 2001-05-10 US disclosed
US-6200974-B1 FOR PRODUCING AN ANTI-FIBROPROLIFERATIVE EFFECT ZENECA LIMITED (GB) 2001-03-13 US disclosed
US-5916898-A ANTIFIBROPROLIFERTIVE, ENZYME INHIBITORS OF PYROLYL 4-HYDROXYLASE, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-06-29 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-20010001101-A1 Phenanthroline derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, COL1A1, COL2A1 RELA 1194/4885KDM4E 162/4885ALDH1A1 425/4885

“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.