SCHEMBL5889481

SCHEMBL5889481

O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)nc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
P4HTM Q9NXG6 8/20 0.42
P4HA1 P13674 1/20 0.42
MIF P14174 1/20 0.42
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.35
AHR P35869 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL5889483 0.90 P4HTM (0.56) MAPK1KDM4EL3MBTL1P4HTMP4HA1
SCHEMBL19816909 0.89 MAPK1 (0.53) MAPK1KDM4EL3MBTL1P4HTMP4HA1
SCHEMBL5889663 0.82 TDP1 (0.41) MAPK1KDM4EL3MBTL1MAPTPOLB
SCHEMBL16179277 0.82 KDM4E (0.51) MAPK1KDM4EL3MBTL1MAPTPOLB
SCHEMBL5889497 0.80 SENP1 (0.47) MAPK1MAPTKMT2AATMMEN1
SCHEMBL16187394 0.76 ALDH1A1 (0.45) MAPK1KDM4EL3MBTL1MAPTPOLB
SCHEMBL5889664 0.76 KDM4E (0.41) MAPK1KDM4EL3MBTL1P4HTMP4HA1
SCHEMBL15373868 0.75 KMT2A (0.59) MAPK1KDM4EL3MBTL1P4HTMMAPT
SCHEMBL9194472 0.75 MAPK1 (0.60) MAPK1KDM4EL3MBTL1P4HTMMAPT
SCHEMBL69845 0.75 MAPK1 (0.54) MAPK1KDM4EL3MBTL1P4HTMP4HA1

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 10 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-6906103-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-06-14 US disclosed
US-6849713-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-02-01 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
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity SMITHKLINE BEECHAM CORPORATION 2003-06-26 US disclosed
EP-1294713-A2 COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-03-26 EP disclosed
WO-2002000650-A9 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECH INC (US) 2003-03-06 WO disclosed
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. 2002-03-28 US disclosed
WO-2002000650-A2 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2002-01-03 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 (3 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-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 MAPK1 2552/4885KDM4E 3560/4885L3MBTL1 4293/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 MAPK1 2552/4885KDM4E 3560/4885L3MBTL1 4293/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 MAPK1 1694/4885KDM4E 1515/4885L3MBTL1 4222/4885

“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.