SCHEMBL250807

SCHEMBL250807

CC(=O)c1ccc(N2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
THRB P10828 1/20 0.59
SLC6A5 Q9Y345 2/20 0.56
SLC6A9 P48067 1/20 0.56
ALDH1A1 P00352 3/20 0.53
CYP2C9 P11712 1/20 0.52
AKR1C3 P42330 1/20 0.50
NOTUM Q6P988 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48

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
SCHEMBL580818 0.87 TTR (0.55) SMN1; SMN2TP53MAPTTHRBALDH1A1
SCHEMBL17386600 0.87 TAAR1 (0.56) MAPTNOTUM
SCHEMBL23648381 0.86 SMN1; SMN2 (0.54) SMN1; SMN2TP53MAPTTHRBSLC6A5
SCHEMBL2709426 0.86 SMN1; SMN2 (0.56) SMN1; SMN2TP53MAPTTHRBALDH1A1
SCHEMBL2771499 0.85 SMN1; SMN2 (0.62) SMN1; SMN2TP53MAPTTHRBALDH1A1
SCHEMBL20702897 0.85 NPC1 (0.57) SMN1; SMN2TP53MAPTTHRBALDH1A1
SCHEMBL20703115 0.84 SMN1; SMN2 (0.55) SMN1; SMN2TP53MAPTTHRBALDH1A1
SCHEMBL20702615 0.84 SMN1; SMN2 (0.55) SMN1; SMN2TP53MAPTTHRBALDH1A1
SCHEMBL20716309 0.84 NPC1 (0.52) SMN1; SMN2TP53MAPTTHRBSLC6A9
SCHEMBL21776994 0.83 TP53 (0.59) SMN1; SMN2TP53MAPTTHRBCYP2C9

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 EP disclosed
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 US disclosed
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 US disclosed
EP-2963036-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF Astellas Pharma Inc. (JP) 2016-01-06 EP disclosed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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 (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-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF CHRM3, CHRM2, CHRM5 SMN1; SMN2 1804/4885TP53 2920/4885MAPT 700/4885
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 SMN1; SMN2 4137/4885TP53 4869/4885MAPT 4262/4885

“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.