SCHEMBL1690637

SCHEMBL1690637

O=[N+]([O-])c1nn(C2CCCCO2)cc1-c1cc(-c2cccc(C(F)(F)F)c2)ccc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.37
DDR2 Q16832 1/20 0.37
GRIN1 Q05586 7/20 0.37
GRIN2B Q13224 7/20 0.37
ALDH1A1 P00352 2/20 0.34
S1PR5 Q9H228 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM2B Q8NHM5 1/20 0.33
POLB P06746 1/20 0.33
SCN2A Q99250 1/20 0.33
JAK2 O60674 1/20 0.33
CREBBP Q92793 1/20 0.32
PIM1 P11309 1/20 0.32

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
SCHEMBL1094302 0.90 MEN1 (0.37) FGFR1DDR2ALDH1A1LMNAGAA
SCHEMBL10185631 0.85 RXRA (0.31)
SCHEMBL327539 0.85 GPR84 (0.34) KDM2B
SCHEMBL320094 0.82 CYP4F2 (0.35) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL320305 0.81 TLR2 (0.35)
SCHEMBL323521 0.80 IDO1 (0.36) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL17610374 0.76 ATR (0.35) ALDH1A1MAPTSMN1; SMN2NPSR1MEN1
SCHEMBL1648066 0.72 MAPK14 (0.43) FGFR1DDR2GRIN1GRIN2BPIM1
SCHEMBL29899195 0.69 CNR2 (0.43) GRIN1GRIN2BALDH1A1MEN1KMT2A
SCHEMBL1690818 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590951-B1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2015-01-07 EP disclosed
EP-2590951-B1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2015-01-07 EP disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 US disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 US disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 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 (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-20120010182-A1 Chemical Compounds SCN1A, SCN1B, CACNA1E FGFR1 1429/4885DDR2 2017/4885GRIN1 224/4885

“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.