SCHEMBL13639740

SCHEMBL13639740

O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(-c2ccc(O)cc2O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
RXFP1 Q9HBX9 5/20 0.62
P2RX1 P51575 4/20 0.60
KCNK3 O14649 2/20 0.60
LMNA P02545 2/20 0.59
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
PTGS1 P23219 1/20 0.57
HTT P42858 1/20 0.57
POLB P06746 2/20 0.57
KCNK9 Q9NPC2 1/20 0.56
TSHR P16473 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
LCK P06239 1/20 0.54
SLC2A1 P11166 1/20 0.54
P2RX4 Q99571 1/20 0.54
P2RX7 Q99572 1/20 0.54
TMPRSS4 Q9NRS4 1/20 0.54

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
SCHEMBL1598335 0.87 MAPT (0.69) MAPTRXFP1P2RX1KCNK3LMNA
SCHEMBL826721 0.85 MAPT (0.83) MAPTRXFP1P2RX1KCNK3LMNA
SCHEMBL4174614 0.83 NR1H4 (0.65) MEN1KMT2ARAB9ANPC1
SCHEMBL2859341 0.82 MEN1 (0.78) MAPTRXFP1P2RX1KCNK3LMNA
SCHEMBL4286068 0.82 MAPT (0.94) MAPTRXFP1P2RX1KCNK3LMNA
SCHEMBL3028309 0.81 MAPT (0.76) MAPTRXFP1P2RX1KCNK3LMNA
SCHEMBL7816780 0.81 MEN1 (0.76) MAPTRXFP1P2RX1KCNK3LMNA
SCHEMBL12581365 0.80 RXFP1 (0.63) MAPTRXFP1P2RX1KCNK3LMNA
SCHEMBL13639753 0.79 RXFP1 (0.62) MAPTRXFP1P2RX1KCNK3MEN1
SCHEMBL28151432 0.79 IDH2 (0.69) MAPTRXFP1KCNK3LMNAMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948146-B1 NOVEL MULTI-CYCLIC COMPOUNDS AND THEIR USE REVOTAR BIOPHARMACEUTICALS AG (DE) 2012-11-07 EP disclosed
US-20090030015-A1 NOVEL MULTI-CYCLIC COMPOUNDS REVOTAR BIOPHARMACEUTICALS AG (DE) 2009-01-29 US disclosed
US-20090030015-A1 NOVEL MULTI-CYCLIC COMPOUNDS REVOTAR BIOPHARMACEUTICALS AG (DE) 2009-01-29 US disclosed
WO-2007039111-A2 NOVEL MULTI-CYCLIC COMPOUNDS AND THEIR USE REVOTAR BIOPHARMACEUTICALS AG (DE) 2007-04-12 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-20090030015-A1 NOVEL MULTI-CYCLIC COMPOUNDS SELP, SELE, SELL MAPT 4021/4885RXFP1 2767/4885P2RX1 689/4885

“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.