SCHEMBL5889493

SCHEMBL5889493

O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
DAO P14920 2/20 0.38
HPGD P15428 3/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRSS1 P07477 5/20 0.34
TMPRSS15 P98073 5/20 0.34
GSK3B P49841 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5889494 0.93 DAO (0.50) HDAC4HDAC1HDAC6HDAC3NPSR1
SCHEMBL5290034 0.89 DAO (0.50) HDAC4HDAC1HDAC6HDAC3LMNA
SCHEMBL28513694 0.87 CES2 (0.50) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL5889507 0.85 NPSR1 (0.41) HDAC4HDAC1HDAC6HDAC3NPSR1
SCHEMBL5966698 0.82 RAB9A (0.53) HDAC1HDAC6PPARGNCOA2NCOA1
SCHEMBL31250450 0.77 KMT2A (0.55) NPSR1LMNADAOHPGDTSHR
SCHEMBL5889497 0.76 SENP1 (0.47) HPGDTSHRMAPK1ATMHSD17B10
SCHEMBL30416195 0.75 BCL2L1 (0.54) HDAC4HDAC1HDAC6HDAC3HPGD
SCHEMBL29065460 0.75 BCL2L1 (0.54) HDAC4HDAC1HDAC6HDAC3HPGD
SCHEMBL31435465 0.73 CHRNA7 (0.43) HDAC4HDAC1HDAC6HDAC3LMNA

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-7064218-B2 Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2006-06-20 US disclosed
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GLAXOSMITHKLINE LLC 2003-11-13 US disclosed
WO-2003057212-A1 POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-07-17 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-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 HDAC4 1135/4885HDAC1 1319/4885HDAC6 881/4885

“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.