SCHEMBL7799103

SCHEMBL7799103

CC(C)(C)OC(=O)Nc1cnc2c3c(ccc2c1)C(=O)C(C(=O)O)C=N3

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
RORC P51449 6/20 0.35
SYK P43405 1/20 0.35
PSMB8 P28062 1/20 0.34
MAPKAPK2 P49137 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAP4K4 O95819 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL6979585 0.86 NPC1 (0.34) RORC
SCHEMBL965376 0.76
SCHEMBL6985185 0.73 HPGDS (0.36)
SCHEMBL7799131 0.69 PDK2 (0.36) NAMPT
SCHEMBL7802386 0.68 KMT2A (0.40)
SCHEMBL7799119 0.68 MEN1 (0.43) HDAC4
SCHEMBL27989596 0.68 RORC (0.49) RORCSYKHDAC4HDAC1NAMPT
SCHEMBL7801055 0.67 HPGD (0.39) NAMPT
SCHEMBL240482 0.65 TRPV1 (0.61) HDAC4HDAC1
SCHEMBL28237660 0.65 CNR2 (0.47) MAPKAPK2HDAC4HDAC1MAP4K4

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-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 DGAT1 2775/4885RORC 2834/4885SYK 4823/4885

“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.