SCHEMBL2567845

SCHEMBL2567845

O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ POLB P06746 3/20 0.35
▸ GFER P55789 2/20 0.35
▸ ALPL P05186 1/20 0.35
▸ ALPI P09923 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ABCC8 Q09428 5/20 0.35
▸ KCNJ11 Q14654 5/20 0.35
▸ IGF1R P08069 1/20 0.34
▸ GPR35 Q9HC97 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL1872522 0.85 ALDH1A1 (0.44) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL4519825 0.74 CTSB (0.40) MEN1KMT2APOLBGFERALPL
SCHEMBL30594978 0.74 CTSB (0.40) MEN1KMT2APOLBGFERALPL
SCHEMBL31202669 0.73 GPR35 (0.41) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL8743905 0.73 GPR35 (0.41) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL1759447 0.72 MEN1 (0.37) MEN1KMT2APOLBGFERALPL
SCHEMBL1867497 0.72 FABP4 (0.50) MEN1KMT2APOLBIGF1RALDH1A1
SCHEMBL18188110 0.70 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL31481300 0.70 MEN1 (0.40) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL31481310 0.70 MEN1 (0.46) MEN1KMT2ANPC1RAB9APAX8

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-8372836-B2 Spray dried formulation BEND RESEARCH, INC. (US) 2013-02-12 — — US disclosed
EP-1987030-B1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LTD (GB) 2011-11-09 — — EP disclosed
EP-2101741-B1 SOLID DISPERSION COMPRISING A POORLY WATER SOLUBLE DRUG BEND RES INC (US) 2010-08-11 — — EP disclosed
US-7691877-B2 Pharmaceuticals PFIZER INC. (US) 2010-04-06 — — US disclosed
US-20100029667-A1 Spray dried formulation BEND RESEARCH INC. 2010-02-04 — — US disclosed
EP-2101741-A2 SOLID DISPERSION COMPRISING A POORLY WATER SOLUBLE DRUG BEND RESEARCH, INC. (US) 2009-09-23 — — EP disclosed
EP-1987030-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS Pfizer Limited (GB) 2008-11-05 — — EP disclosed
WO-2008047201-A2 SOLID DISPERSION COMPRISING A POORLY WATER SOLUBLE DRUG PFIZER PRODUCTS INC. (US) 2008-04-24 — — WO disclosed
WO-2007093901-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LIMITED (GB) 2007-08-23 — — WO disclosed
US-20070197478-A1 NOVEL PHARMACEUTICALS PFIZER LIMITED 2007-08-23 — — US 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 (2 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-20070197478-A1 NOVEL PHARMACEUTICALS TLR3, HAVCR2, TLR9 MEN1 4459/4885KMT2A 4035/4885NPC1 785/4885
US-20100029667-A1 Spray dried formulation PRKG1, PDE7A, PDE10A MEN1 2145/4885KMT2A 4099/4885NPC1 592/4885

“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.

Send feedback