SCHEMBL320094

SCHEMBL320094

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
ABL1 P00519 1/20 0.34
RIPK1 Q13546 1/20 0.31
HSP90AA1 P07900 1/20 0.31
BRAF P15056 1/20 0.31
RAB9A P51151 5/20 0.31
ALDH1A1 P00352 4/20 0.31
MAPT P10636 5/20 0.30
NPC1 O15118 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL323521 0.88 IDO1 (0.36) CYP4F2CYP4A11BRAFALDH1A1MAPT
SCHEMBL1094302 0.87 MEN1 (0.37) CYP4F2CYP4A11ABL1ALDH1A1MAPT
SCHEMBL320305 0.85 TLR2 (0.35) CYP4F2CYP4A11ABL1
SCHEMBL1690637 0.82 FGFR1 (0.37) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10185631 0.80 RXRA (0.31) ABL1
SCHEMBL327539 0.80 GPR84 (0.34) MAOB
SCHEMBL17610374 0.77 ATR (0.35) ABL1RAB9AALDH1A1MAPTNPC1
SCHEMBL29017915 0.74 ALDH1A1 (0.33) CYP4F2CYP4A11ALDH1A1MAPT
Hydrochloric Acid SCHEMBL29017929 0.73 ALDH1A1 (0.33) CYP4F2CYP4A11ALDH1A1MAPT
SCHEMBL319862 0.73 ALDH1A1 (0.37) ABL1RIPK1RAB9AALDH1A1KMT2A

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-9145407-B2 Sulfonamide compounds PFIZER LIMITED (GB) 2015-09-29 US disclosed
EP-2590972-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2015-01-21 EP disclosed
EP-2590972-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2015-01-21 EP disclosed
EP-2590972-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2013-05-15 EP disclosed
US-20130109667-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
WO-2012004706-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-12 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-20130109667-A1 Chemical Compounds SCN1A, SCN7A, SCN1B CYP4F2 2780/4885CYP4A11 2373/4885ABL1 335/4885

“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.