SCHEMBL449957

SCHEMBL449957

[CH2]c1ccccc1NC(=O)CCN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.54
HDAC1 Q13547 8/20 0.54
HDAC2 Q92769 8/20 0.54
HDAC10 Q969S8 6/20 0.54
HDAC6 Q9UBN7 5/20 0.54
NCOR2 Q9Y618 5/20 0.54
HDAC4 P56524 5/20 0.54
HDAC7 Q8WUI4 4/20 0.54
HDAC11 Q96DB2 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
HDAC9 Q9UKV0 4/20 0.54
HDAC5 Q9UQL6 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL7216736 0.87 CA1 (0.57) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL7789440 0.81 HDAC1 (0.79) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3223491 0.79 KDM1A (0.60) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL9443457 0.79 ALDH1A1 (0.51) SMN1; SMN2GAAALDH1A1MAPTNPC1
SCHEMBL7557929 0.79 TDP1 (0.49) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL1767107 0.79 TSHR (0.42) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL6548819 0.78 CETP (0.67) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL7465385 0.78 GAA (0.53) HDAC3HDAC1HDAC2SMN1; SMN2GAA
SCHEMBL24811439 0.78 RAB9A (0.62) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL7220693 0.76 CA1 (0.58) SMN1; SMN2ALDH1A1KMT2AMAPK1TSHR

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263142-A1 USE OF A3 ADENOSINE RECEPTOR AGONIST IN OSTEOARTHRITIS TREATMENT CAN-FITE BIOPHARMA LTD. (IL) 2016-09-15 US claimed
US-9387220-B2 Method for inducing hepatocyte proliferation and uses thereof CAN-FITE BIOPHARMA LTD. (IL) 2016-07-12 US claimed
US-20140364388-A1 METHOD FOR INDUCING HEPATOCYTE PROLIFERATION AND USES THEREOF CAN-FITE BIOPHARMA LTD. (IL) 2014-12-11 US claimed
US-8846635-B2 Method for inducing hepatocyte proliferation and uses thereof CAN-FITE BIOPHARMA LTD. (IL) 2014-09-30 US claimed
EP-2227234-B1 METHOD FOR INDUCING HEPATOCYTE PROLIFERATION AND USES THEREOF CAN FITE BIOPHARMA LTD (IL) 2014-05-07 EP claimed
US-20130109645-A1 ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT AND PREVENTION OF VASCULAR OR JOINT CAPSULE CALCIFICATION DISORDERS The united States of America,as represented by Secretary,Dept.,of Health and Human Services (US) 2013-05-02 US claimed
WO-2011123518-A1 ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT AND PREVENTION OF VASCULAR OR JOINT CAPSULE CALCIFICATION DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-10-06 WO claimed
US-20100249053-A1 METHOD FOR INDUCING HEPATOCYTE PROLIFERATION AND USES THEREOF CAN-FITE BIOPHARMA LTD. (IL) 2010-09-30 US claimed
US-7589075-B2 Use of an adenosine A3 receptor agonist for inhibition of viral replication CAN-FITE BIOPHARMA LTD. (IL) 2009-09-15 US claimed
US-7465715-B2 Method for treatment of multiple sclerosis CAN-FITE BIOPHARMA, LTD. (IL) 2008-12-16 US claimed
US-20040106572-A1 Use of an adenosine a3 receptor agonist for inhibition of viral replication CAN-FITE BIOPHARMA LTD. (IL) 2004-06-03 US claimed
CN-1489470-A Use of adenosine a3 receptor agonists for inhibiting viral replication �������׶�-���޵�˹��ҩ���޹�˾ 2004-04-14 CN claimed
EP-1383515-A1 ACTIVATION OF NATURAL KILLER CELLS BY ADENOSINE A3 RECEPTOR AGONISTS Can-Fite Biopharma Ltd. (IL) 2004-01-28 EP claimed
EP-1365776-A2 USE OF AN ADENOSINE A3 RECEPTOR AGONIST FOR INHIBITION OF VIRAL REPLICATION Can-Fite Biopharma Ltd. (IL) 2003-12-03 EP claimed
JP-2003514771-A 2003-04-22 JP claimed
EP-1261322-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ADENOSINE RECEPTOR AGONIST OR ANTAGONIST Can-Fite Biopharma Ltd. (IL) 2002-12-04 EP claimed
WO-2002083152-A1 ACTIVATION OF NATURAL KILLER CELLS BY ADENOSINE A3 RECEPTOR AGONISTS CAN-FITE BIOPHARMA LTD. (IL) 2002-10-24 WO claimed
WO-2002055085-A2 USE OF AN ADENOSINE A3 RECEPTOR AGONIST FOR INHIBITION OF VIRAL REPLICATION CAN-FITE BIOPHARMA LTD. (IL) 2002-07-18 WO claimed
WO-2001019360-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ADENOSINE RECEPTOR AGONIST OR ANTAGONIST CAN-FITE BIOPHARMA LTD. (IL) 2001-03-22 WO claimed
US-5688774-A ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-11-18 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20040106572-A1 Use of an adenosine a3 receptor agonist for inhibition of viral replication ADORA3, ADORA2A, ADORA1 HDAC3 3465/4885HDAC1 4646/4885HDAC2 4777/4885
US-20140364388-A1 METHOD FOR INDUCING HEPATOCYTE PROLIFERATION AND USES THEREOF HGF, HCAR3, HNF4A HDAC3 1525/4885HDAC1 3807/4885HDAC2 3841/4885
US-20160263142-A1 USE OF A3 ADENOSINE RECEPTOR AGONIST IN OSTEOARTHRITIS TREATMENT ADORA3, ADORA2A, ADORA1 HDAC3 2855/4885HDAC1 4729/4885HDAC2 4693/4885
US-20130109645-A1 ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT AND PREVENTION OF VASCULAR OR JOINT CAPSULE CALCIFICATION DISORDERS NT5E, NT5C2, NT5C3B HDAC3 4102/4885HDAC1 4600/4885HDAC2 4441/4885
US-20100249053-A1 METHOD FOR INDUCING HEPATOCYTE PROLIFERATION AND USES THEREOF HGF, HCAR3, HNF4A HDAC3 1525/4885HDAC1 3807/4885HDAC2 3841/4885

“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.