SCHEMBL3201205

SCHEMBL3201205

O=[N+]([O-])c1ccc(N2CCCN(Cc3ccccc3)CC2)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
LMNA P02545 3/20 0.60
CYP2C19 P33261 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.53
MAPT P10636 3/20 0.53
NPBWR1 P48145 1/20 0.53
MCHR1 Q99705 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PARP1 P09874 2/20 0.52
TNK1 Q13470 2/20 0.52
TNK2 Q07912 1/20 0.52
CASP1 P29466 1/20 0.52
CASP4 P49662 1/20 0.52
CASP5 P51878 1/20 0.52
CCR2 P41597 1/20 0.52
MEN1 O00255 1/20 0.50
TDP1 Q9NUW8 2/20 0.49

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
SCHEMBL6449799 0.95 ALDH1A1 (0.64) ALDH1A1LMNACYP2C19CYP3A4CYP2C9
SCHEMBL7985192 0.88 ALDH1A1 (0.62) ALDH1A1LMNACYP2C19CYP3A4CYP2C9
SCHEMBL2089251 0.85 KMT2A (0.57) ALDH1A1LMNACYP2C19CYP3A4CYP2C9
SCHEMBL13419649 0.83 ALDH1A1 (0.62) ALDH1A1LMNAKMT2APOLBMAPT
SCHEMBL19212158 0.81 ALDH1A1 (0.56) ALDH1A1LMNACYP2C19CYP3A4CYP2C9
SCHEMBL11556492 0.81 LMNA (0.59) ALDH1A1LMNAPOLBMAPTTDP1
SCHEMBL5206645 0.81 POLB (0.68) ALDH1A1LMNAKMT2APOLBMAPT
SCHEMBL19212110 0.81 ALDH1A1 (0.61) ALDH1A1LMNACYP2C19CYP3A4CYP2C9
SCHEMBL7832712 0.81 ALDH1A1 (0.49) ALDH1A1LMNACYP2C19CYP3A4CYP2C9
SCHEMBL7832716 0.81 ALDH1A1 (0.49) ALDH1A1LMNACYP2C19CYP3A4CYP2C9

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-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-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
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 2990/4885CYP2C19 3956/4885

“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.