SCHEMBL5143601

SCHEMBL5143601

O=C(CO)N(Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 6/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.43
PAX8 Q06710 4/20 0.43
TP53 P04637 3/20 0.43
GLA P06280 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.41
MEN1 O00255 4/20 0.39
MITF O75030 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
JAK2 O60674 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL5143600 0.83 KMT2A (0.50) ALDH1A1KMT2ANPC1RAB9AHTT
SCHEMBL7593591 0.81 ALDH1A1 (0.48) ALDH1A1KMT2ANPC1RAB9AHTT
SCHEMBL3156128 0.81 ALDH1A1 (0.48) ALDH1A1KMT2ANPC1RAB9AHTT
SCHEMBL11870179 0.79 ALDH1A1 (0.47) ALDH1A1KMT2ANPC1RAB9AHTT
SCHEMBL28179383 0.79 ALDH1A1 (0.52) ALDH1A1KMT2ANPC1RAB9AHTT
SCHEMBL3154354 0.78 TP53 (0.62) ALDH1A1KMT2ANPC1RAB9AHTT
SCHEMBL4334073 0.78 ALDH1A1 (0.46) ALDH1A1KMT2ANPC1RAB9AHTT
SCHEMBL10521343 0.77 ALDH1A1 (0.65) ALDH1A1KMT2ANPC1RAB9AHTT
SCHEMBL11115139 0.77 NPSR1 (0.56) ALDH1A1KMT2ANPC1RAB9AHTT
SCHEMBL3730131 0.77 NPSR1 (0.50) ALDH1A1KMT2ANPC1RAB9AHTT

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 2618/4885NPC1 3445/4885

“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.