SCHEMBL5146540

SCHEMBL5146540

[O]CC(=O)N(OC(F)F)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38
GLA P06280 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
PAX8 Q06710 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL5146549 0.86 ALDH1A1 (0.38) ALDH1A1KMT2ANPSR1NPC1HTT
SCHEMBL5143744 0.77 KMT2A (0.41) ALDH1A1KMT2ANPSR1NPC1HTT
SCHEMBL5144095 0.70 ALDH1A1 (0.45) ALDH1A1KMT2ANPSR1NPC1HTT
SCHEMBL10521334 0.69 ALDH1A1 (0.65) ALDH1A1KMT2ANPSR1NPC1HTT
SCHEMBL30206316 0.67 NPSR1 (0.34) ALDH1A1KMT2ANPSR1GLATSHR
SCHEMBL7830345 0.66 KMT2A (0.56) ALDH1A1KMT2ANPSR1POLBPOLQ
SCHEMBL5143600 0.66 KMT2A (0.50) ALDH1A1KMT2ANPSR1NPC1HTT
SCHEMBL28899664 0.66 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5143986 0.66 ALDH1A1 (0.41) ALDH1A1KMT2ANPSR1NPC1HTT
SCHEMBL23212131 0.64 NPSR1 (0.34) ALDH1A1KMT2ANPSR1HTTGLA

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-7217706-B2 Propanolamine derivatives ASTELLAS PHARMA INC. (JP) 2007-05-15 US disclosed
EP-1382333-A2 Use of beta 3 adrenergic receptor agonists in the treatment of dysuria FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-21 EP disclosed
US-6495546-B1 SUCH AS 1-(N-BENZYL-N-(3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO-CYCLOHEPTEN-6-YL)AMINO)-3-PHENOXY-2-PROPANOL; ADRENERGIC RECEPTOR AGONISTS; ANTIULCEROUS, LIPOLYTIC, ANTIURINARY INCONTINENCE AND ANTIPOLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
US-20020120148-A1 Propanolamine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-08-29 US disclosed
EP-1070046-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP disclosed
WO-1999051564-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-14 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 (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-20020120148-A1 Propanolamine derivatives AMY2A, PNMT, PNLIP ALDH1A1 335/4885KMT2A 2618/4885NPSR1 539/4885

“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.