SCHEMBL3277751

SCHEMBL3277751

O=[N+]([O-])c1cccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.49
PTGS2 P35354 1/20 0.46
ABHD16A O95870 1/20 0.46
MAPK14 Q16539 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPN P05981 1/20 0.44
TRPC3 Q13507 1/20 0.44
DDR2 Q16832 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL5212572 0.85 PTGS1 (0.66) PTGS1PTGS2MAPTTRPC3CYP2C9
SCHEMBL3277724 0.83 PTGS1 (0.68) PTGS1PTGS2MAPK14MAPTKDM4E
SCHEMBL7314688 0.80 TP53 (0.56) MAPK14MAPTMEN1KMT2ANPC1
SCHEMBL7316872 0.79 ORAI1 (0.63) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7325281 0.78 RORC (0.55) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3473104 0.78 PTGS2 (0.62) PTGS1PTGS2ABHD16AMAPK14MAPT
SCHEMBL1831803 0.76 TRPC3 (0.50) PTGS1PTGS2MAPK14KDM4ETRPC3
SCHEMBL7570850 0.76 PTGS1 (0.65) PTGS1PTGS2MAPTKDM4EMEN1
SCHEMBL7244209 0.76 PTGS1 (0.55) PTGS1PTGS2MAPK14MAPTMEN1
SCHEMBL3278021 0.76 PTGS1 (0.62) PTGS1PTGS2MAPK14MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060111409-A1 Medicament for treatment of diabetes INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-25 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 US disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 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 (7 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-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 PTGS1 653/4885PTGS2 1119/4885ABHD16A 4074/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 PTGS1 658/4885PTGS2 1369/4885ABHD16A 3776/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 PTGS1 89/4885PTGS2 219/4885ABHD16A 4364/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT PTGS1 101/4885PTGS2 286/4885ABHD16A 4483/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 PTGS1 614/4885PTGS2 1640/4885ABHD16A 4585/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR PTGS1 113/4885PTGS2 246/4885ABHD16A 4313/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR PTGS1 117/4885PTGS2 271/4885ABHD16A 4345/4885

“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.