SCHEMBL4463389

SCHEMBL4463389

COc1ccc(Sc2ccc(CCNC(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
GLA P06280 1/20 0.52
KMT2A Q03164 1/20 0.52
MTNR1A P48039 4/20 0.51
MTNR1B P49286 3/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
FPR2 P25090 2/20 0.50
NQO2 P16083 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50

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
SCHEMBL140038 0.92 SMN1; SMN2 (0.67) SMN1; SMN2GLAKMT2AMTNR1AMTNR1B
SCHEMBL4475970 0.83 KDM4E (0.51) SMN1; SMN2ALDH1A1GAATAAR1
SCHEMBL5072982 0.83 POLB (0.58) SMN1; SMN2MTNR1AMTNR1B
SCHEMBL9632174 0.82 POLB (0.57) SMN1; SMN2ALDH1A1
SCHEMBL6677462 0.81 MTNR1A (0.51) KMT2AMTNR1AMTNR1BNQO2
SCHEMBL3398302 0.80 MTNR1A (0.69) SMN1; SMN2KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL25183406 0.77 MTNR1A (0.54) MTNR1AMTNR1BNQO2
SCHEMBL6985074 0.77 EPHX2 (0.60) SMN1; SMN2MTNR1AMTNR1B
SCHEMBL506516 0.77 HDAC3 (0.60) SMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL6677138 0.77 ACACB (0.52) FPR2

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 SMN1; SMN2 3190/4885GLA 1996/4885KMT2A 1218/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 SMN1; SMN2 1849/4885GLA 2092/4885KMT2A 364/4885

“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.