SCHEMBL4475970

SCHEMBL4475970

O=C(NCCc1ccc(Sc2ccc(O)cc2)cc1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
F13A1 P00488 1/20 0.51
ESRRG P62508 3/20 0.46
ESRRB O95718 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
NR1H2 P55055 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41

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
SCHEMBL6433557 0.91 KDM4E (0.61) KDM4EF13A1ESRRGESRRBSMN1; SMN2
SCHEMBL4463389 0.83 SMN1; SMN2 (0.57) SMN1; SMN2GAAALDH1A1TAAR1
SCHEMBL8699335 0.81 POLB (0.55) KDM4EF13A1ESRRGSMN1; SMN2PLAAT3
SCHEMBL23346356 0.78 TRPV1 (0.50) KDM4EF13A1ESRRGESRRBSMN1; SMN2
SCHEMBL5540114 0.78 KDM4E (0.66) KDM4EF13A1ESRRGESRRBSMN1; SMN2
SCHEMBL4179064 0.78 HPGD (0.57) SMN1; SMN2NPC1RAB9APLAAT3PLAAT5
SCHEMBL7332995 0.77 CA1 (0.41) KDM4EF13A1SMN1; SMN2GAAPLAAT3
SCHEMBL5553483 0.76 PLAAT3 (0.58) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4700346 0.76 ESRRG (0.54) KDM4EF13A1ESRRGSMN1; SMN2GFER
SCHEMBL4702861 0.76 ALDH1A1 (0.47) KDM4EF13A1SMN1; SMN2PLAAT3PLAAT5

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-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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 (2 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 KDM4E 2289/4885F13A1 2186/4885ESRRG 814/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 KDM4E 1554/4885F13A1 851/4885ESRRG 3658/4885

“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.