SCHEMBL5889458

SCHEMBL5889458

O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc2[nH]c(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 1/20 0.52
PLD1 Q13393 1/20 0.52
RXFP1 Q9HBX9 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NHERF1 O14745 2/20 0.50
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
EGFR P00533 2/20 0.46
PIK3CA P42336 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
PDPK1 O15530 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL14716260 0.79 TSHR (0.56) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL8205048 0.77 NHERF1 (0.64) PLD2PLD1RXFP1NPC1RAB9A
SCHEMBL8204182 0.73 NHERF1 (0.60) PLD2PLD1RXFP1NPC1RAB9A
SCHEMBL18010174 0.72 KDM4E (0.55) RXFP1NPC1RAB9AMEN1KMT2A
SCHEMBL15623149 0.71 PLD2 (0.70) PLD2PLD1RXFP1NPC1RAB9A
SCHEMBL8205586 0.71 NHERF1 (0.68) PLD2PLD1RXFP1NPC1RAB9A
SCHEMBL6488149 0.71 ABL1 (0.55) PLD2PLD1RXFP1NPC1RAB9A
SCHEMBL2915005 0.71 TSHR (0.56) RAB9AMEN1KMT2ALMNAALDH1A1
SCHEMBL5889831 0.71 NHERF1 (0.53) PLD2PLD1RXFP1NPC1RAB9A
SCHEMBL5889575 0.71 MMP13 (0.72) PLD2PLD1RXFP1NPC1RAB9A

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 PLD2 3783/4885PLD1 2686/4885RXFP1 4139/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 PLD2 3783/4885PLD1 2686/4885RXFP1 4139/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 PLD2 4801/4885PLD1 4525/4885RXFP1 3981/4885

“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.