SCHEMBL2857553

SCHEMBL2857553

O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cn2)c1)c1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.48
MAPT P10636 5/20 0.48
GAA P10253 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSPB1 P04792 1/20 0.44
RORC P51449 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
P2RX1 P51575 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42

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
SCHEMBL2856239 0.86 MAPT (0.43) PPARGMAPTGAANPSR1KDM4E
SCHEMBL2855530 0.85 GAA (0.51) MAPTGAANPSR1KDM4EMAPK1
SCHEMBL2853263 0.81 GAA (0.66) MAPTGAANPSR1KDM4EMAPK1
SCHEMBL2858917 0.78 HSPB1 (0.54) PPARGMAPTGAANPSR1MAPK1
SCHEMBL2858921 0.78 HSPB1 (0.54) PPARGMAPTGAANPSR1MAPK1
SCHEMBL2853872 0.74 KDR (0.47) MAPTGAANPSR1KDM4EMAPK1
SCHEMBL2851200 0.74 KDR (0.50) MAPTGAANPSR1KDM4EMAPK1
SCHEMBL3506280 0.73 MAPT (0.70) MAPTGAANPSR1KDM4EMAPK1
SCHEMBL3677759 0.73 KDR (0.55) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL29250919 0.72 MEN1 (0.45) MAPTNPSR1KDM4ERAB9AALDH1A1

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-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 PPARG 1696/4885MAPT 4439/4885GAA 3803/4885

“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.