SCHEMBL6329536

SCHEMBL6329536

CC(=O)NCCc1ccc(C(C)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.70
F13A1 P00488 1/20 0.70
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 4/20 0.59
MAPT P10636 4/20 0.59
HSD17B10 Q99714 2/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
PTGS1 P23219 1/20 0.59
BLM P54132 1/20 0.59
HIF1A Q16665 1/20 0.59
RAB9A P51151 3/20 0.56
NPC1 O15118 1/20 0.56
KMT2A Q03164 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55

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
SCHEMBL10592850 0.90 KDM4E (0.84) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3203944 0.89 KDM4E (0.70) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6845394 0.89 KDM4E (0.70) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3523937 0.87 KDM4E (0.68) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6706700 0.87 HSD17B10 (0.56) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4864495 0.85 KDM4E (0.66) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL14966449 0.84 SMN1; SMN2 (0.68) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10451965 0.84 KDM4E (0.64) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16017577 0.84 PLK1 (0.64) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4867311 0.84 ALDH1A1 (0.73) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC 2005-04-07 US disclosed
US-6706743-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC 2004-03-16 US disclosed
CN-1469876-A Alpha-aryl ethanolamines and their use as beta-3 adrenergic receptor agonists �Ʒ� 2004-01-21 CN disclosed
US-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-10-30 US disclosed
EP-1326861-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Pfizer Products Inc. (US) 2003-07-16 EP disclosed
US-6566377-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-05-20 US disclosed
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof DAY ROBERT F (US) 2002-05-02 US disclosed
WO-2002032897-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2002-04-25 WO disclosed
US-4278680-A Hypoglycaemically and hypolipidaemically active derivatives of phenylacetic acid BOEHRINGER MANNHEIM GMBH (DE) 1981-07-14 US disclosed
US-4207341-A Hypoglycaemically and hypolipidaemically active derivatives of phenylacetic acid BOEHRINGER-MANNHEIM GMBH (DE) 1980-06-10 US 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 (3 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-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 KDM4E 3213/4885F13A1 1607/4885SMN1; SMN2 2178/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 KDM4E 3070/4885F13A1 1338/4885SMN1; SMN2 2100/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 KDM4E 3754/4885F13A1 1414/4885SMN1; SMN2 3271/4885

“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.