SCHEMBL3602490

SCHEMBL3602490

O=[N+]([O-])c1cccc(F)c1Nc1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HSPB1 P04792 2/20 0.50
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 3/20 0.44
SOS1 Q07889 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNMA1 Q12791 1/20 0.41
EPAS1 Q99814 1/20 0.41
ALDH3A1 P30838 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5495842 0.85 TDP1 (0.50) ATMTDP1HSPB1ALDH1A1MAPT
SCHEMBL4055608 0.84 MEN1 (0.49) TDP1ALDH1A1MAPTMAPK1MEN1
SCHEMBL16634621 0.82 HCAR3 (0.53) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL16634619 0.82 HCAR3 (0.53) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30615510 0.82 EPAS1 (0.56) ATMTDP1HSPB1ALDH1A1MAPT
SCHEMBL4940492 0.82 EPAS1 (0.56) ATMTDP1HSPB1ALDH1A1MAPT
SCHEMBL11735174 0.81 TDP1 (0.53) ATMTDP1HSPB1ALDH1A1MAPT
SCHEMBL11387513 0.79 TDP1 (0.47) ATMTDP1HSPB1ALDH1A1MAPT
SCHEMBL3611007 0.78 ATM (0.45) ATMTDP1HSPB1ALDH1A1MAPT
SCHEMBL4057190 0.76 MAPK1 (0.59) TDP1ALDH1A1MAPTMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US disclosed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 ATM 2820/4885TDP1 506/4885HSPB1 2524/4885
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 ATM 2474/4885TDP1 1495/4885HSPB1 4409/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 ATM 2820/4885TDP1 506/4885HSPB1 2524/4885

“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.