SCHEMBL13991815

SCHEMBL13991815

O=C1OC(=O)c2c1c(F)c1ccncc1c2F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.41
F3 P13726 2/20 0.41
PARP1 P09874 3/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
F10 P00742 1/20 0.37
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
ALOX5 P09917 1/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
KDM4B O94953 1/20 0.33
KDM5C P41229 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33
CDC25B P30305 1/20 0.32
EGFR P00533 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
SCHEMBL13991816 0.78 ALOX15 (0.42) PARP1MAOAMAOBMAPTLMNA
SCHEMBL30571293 0.67 MAOA (0.56) MAOAMAOBMAPTHTTCDC25B
SCHEMBL310315 0.67 MAOA (0.56) MAOAMAOBMAPTHTTCDC25B
SCHEMBL29362800 0.65 ALDH1A1 (0.43) MAPTLMNAHTT
SCHEMBL335922 0.65 ALDH1A1 (0.43) MAPTLMNAHTT
SCHEMBL13991819 0.64 MAOA (0.33) MAOAMAOBLMNACYP1A2CYP3A4
SCHEMBL13991817 0.63 CCR8 (0.36) PARP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL9807348 0.62 TSHR (0.41)
SCHEMBL581013 0.61 ALOX15 (0.41) F7F3
SCHEMBL17298998 0.61 PARP1 (0.55) PARP1MAOAMAOBCDK4CCND1

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-20080305082-A1 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof NOVACEA, INC. 2008-12-11 US disclosed
US-20080305082-A1 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof NOVACEA, INC. 2008-12-11 US disclosed
WO-2008103320-A1 METHODS OF TREATING OPHTHALMIC DISORDERS WITH ANTHRAQUINONES NOVACEA, INC. (US) 2008-08-28 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-20080305082-A1 1,4-Bis-N-Oxide-5,8- Dihydroxyanthracenedione Compounds and the Use Thereof RB1, BRCA1, CCNA1 F7 1959/4885F3 847/4885PARP1 400/4885

“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.