SCHEMBL5144034

SCHEMBL5144034

[O]CC(=O)NCc1ccccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
KMT2A Q03164 1/20 0.50
ADAMTS4 O75173 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48
LIPG Q9Y5X9 1/20 0.48
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
ALDH1A1 P00352 2/20 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
SCHEMBL14294078 0.85 MTNR1A (0.55) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL30259913 0.85 MTNR1A (0.55) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL5883325 0.84 KMT2A (0.55) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1567172 0.82 KMT2A (0.53) HDAC3HDAC1HDAC2HDAC6HDAC4
Hydrochloric Acid SCHEMBL5883683 0.82 KMT2A (0.53) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4535798 0.81 LIPG (0.52) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL1405700 0.81 KMT2A (0.51) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL15831236 0.78 KMT2A (0.53) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL8764868 0.77 KMT2A (0.47) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL14269014 0.77 LIPG (0.49) HDAC3HDAC1HDAC2HDAC6HDAC4

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 HDAC3 4325/4885HDAC1 3083/4885HDAC2 3281/4885

“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.