SCHEMBL7226887

SCHEMBL7226887

O=C(O)c1cc(F)[c]c2c1-c1c(cc(F)cc1[N+](=O)[O-])C2=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.37
DTYMK P23919 1/20 0.33
EIF4E P06730 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
S100A4 P26447 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
TTR P02766 1/20 0.31
TSHR P16473 2/20 0.31
GPR35 Q9HC97 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
POLB P06746 1/20 0.30
CASP6 P55212 1/20 0.30

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
SCHEMBL7226885 0.83 HKDC1 (0.48) HKDC1DTYMKEIF4ES100A4TRPV1
SCHEMBL4013929 0.75 TTR (0.45) DTYMKLMNAMAPTHTTTTR
SCHEMBL7226152 0.74 KEAP1 (0.38) LMNATTRTSHRCYP3A4HPGD
SCHEMBL10528832 0.68 HKDC1 (0.71) HKDC1LMNAMAPTHTTTTR
SCHEMBL7234069 0.68 S100A4 (0.40) LMNAMAPTHTTS100A4TRPV1
SCHEMBL9672294 0.67 HKDC1 (0.42) HKDC1LMNAMAPTHTTS100A4
SCHEMBL912596 0.66 TTR (0.45) DTYMKLMNAMAPTHTTTTR
SCHEMBL204106 0.65 TTR (0.55) DTYMKLMNAMAPTTTRTSHR
SCHEMBL21749958 0.65 CA1 (0.49) DTYMKLMNATTRTSHRPOLB
SCHEMBL10530960 0.65 CASP6 (0.53) HKDC1LMNAMAPTTTRTSHR

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-6545011-B2 PARP (poly(adenosine 5'-diphospho-ribose) polymerase) inhibitors GUILFORD PHARMACEUTICALS INC. 2003-04-08 US disclosed
US-20020037904-A1 Substituted 4,9-dihydrocyclopent a [imn] phenanthridine-5-ones, derivatives thereof and their uses EISAI INC. 2002-03-28 US disclosed
WO-2002006240-A1 SUBSTITUTED 4,9-DIHYDROCYCLOPENTA[IMN] PHENANTHRIDINE-5-ONES, DERIVATIVES THEREOF AND THEIR USES GUILFORD PHARMACEUTICALS INC. (US) 2002-01-24 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-20020037904-A1 Substituted 4,9-dihydrocyclopent a [imn] phenanthridine-5-ones, derivatives thereof and their uses PARP1, PARP2, PARP4 HKDC1 1599/4885DTYMK 226/4885EIF4E 2198/4885

“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.