SCHEMBL5143989

SCHEMBL5143989

O=C(CO)N(c1ccccc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
POLQ O75417 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CES1 P23141 2/20 0.37
GLA P06280 2/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 2/20 0.37
PAX8 Q06710 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5143986 0.85 ALDH1A1 (0.41) ALDH1A1NPSR1KMT2ANPC1HTT
SCHEMBL5068716 0.83 ALDH1A1 (0.44) ALDH1A1NPSR1KMT2ANPC1HTT
SCHEMBL4590412 0.83 ALDH1A1 (0.40) ALDH1A1NPSR1KMT2ANPC1HTT
Hydrochloric Acid SCHEMBL6557848 0.81 ALDH1A1 (0.43) ALDH1A1NPSR1KMT2ANPC1HTT
SCHEMBL7233113 0.81 KMT2A (0.46) ALDH1A1NPSR1KMT2ANPC1HTT
SCHEMBL7458741 0.80 POLQ (0.41) ALDH1A1NPSR1KMT2ANPC1HTT
SCHEMBL1008397 0.79 NPSR1 (0.44) ALDH1A1NPSR1KMT2ANPC1HTT
SCHEMBL3938034 0.78 NPSR1 (0.43) ALDH1A1NPSR1KMT2ANPC1HTT
SCHEMBL3399057 0.78 LTB4R2 (0.47) NPC1RAB9ACES1TP53PAX8
SCHEMBL6528620 0.76 NPC1 (0.46) NPC1RAB9ACES1TP53PAX8

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 335/4885NPSR1 539/4885KMT2A 2618/4885

“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.