SCHEMBL3209684

SCHEMBL3209684

Cc1ccc(S(=O)(=O)OCCC2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
LMNA P02545 4/20 0.52
GPR174 Q9BXC1 3/20 0.49
KMT2A Q03164 1/20 0.47
MAPT P10636 5/20 0.46
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A9 P48067 1/20 0.41
CYP2D6 P10635 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
F2 P00734 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL18280126 0.84 ALDH1A1 (0.56) ALDH1A1LMNAGPR174KMT2AMAPT
SCHEMBL27907 0.83 MAPT (0.53) ALDH1A1LMNAKMT2AMAPTSMN1; SMN2
SCHEMBL18280038 0.79 ALDH1A1 (0.51) ALDH1A1LMNAKMT2AMAPTTDP1
SCHEMBL3216240 0.79 ALDH1A1 (0.60) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL27875 0.78 MAPT (0.51) ALDH1A1LMNAKMT2AMAPTSMN1; SMN2
SCHEMBL29772056 0.78 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL3201980 0.78 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL25845426 0.78 ALDH1A1 (0.62) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL31216596 0.76 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL23783030 0.76 ALDH1A1 (0.60) ALDH1A1LMNAKMT2AMAPTTHRB

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
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 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-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 ALDH1A1 2263/4885LMNA 2990/4885GPR174 1683/4885

“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.