SCHEMBL4839328

SCHEMBL4839328

NC(=O)c1ccccc1NC(=O)C1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.75
HDAC3 O15379 1/20 0.68
HDAC1 Q13547 1/20 0.68
HDAC2 Q92769 1/20 0.68
ALDH1A1 P00352 2/20 0.67
HPGD P15428 2/20 0.67
KDM4E B2RXH2 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TP53 P04637 1/20 0.65
CETP P11597 1/20 0.63
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.58
RXFP1 Q9HBX9 6/20 0.57
HTT P42858 1/20 0.57
MAPK10 P53779 1/20 0.57
PIK3C3 Q8NEB9 1/20 0.55
RXFP2 Q8WXD0 1/20 0.54

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
Hydrochloric Acid SCHEMBL5243116 0.98 SIRT2 (0.73) SIRT2HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL21724826 0.92 SIRT2 (0.63) SIRT2HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL7814976 0.86 ALDH1A1 (0.68) SIRT2HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL11732563 0.86 ALDH1A1 (0.68) SIRT2HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL6374279 0.85 SIRT2 (0.56) SIRT2HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL12323604 0.85 CETP (0.77) SIRT2HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL28256535 0.85 CETP (0.77) SIRT2HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL28258088 0.85 CETP (0.77) SIRT2HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL7733805 0.84 ALDH1A1 (0.71) HDAC3HDAC1HDAC2ALDH1A1HPGD
SCHEMBL11734795 0.84 ALDH1A1 (0.70) SIRT2HDAC3HDAC1HDAC2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11724983-B2 Trisamide compounds and compositions comprising the same MILLIKEN & COMPANY (US) 2023-08-15 US disclosed
US-7452912-B2 Fused ring heteroaryl and heterocyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2008-11-18 US disclosed
US-20040029873-A1 Fused ring heteroaryl and heterocyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-02-12 US disclosed
US-6545003-B1 Treating asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. ELAN PHARMACEUTICALS, INC. 2003-04-08 US disclosed
CN-1336921-A Fused ring heteroaryl and heterocyclic compounds that inhibit VLA-4 mediated leukocyte adhesion ELAN PHARM INC (US) 2002-02-20 CN disclosed
EP-1147091-A2 FUSED RING HETEROARYL AND HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-10-24 EP disclosed
WO-2000043371-A2 FUSED RING HETEROARYL AND HETEROCYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 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 (2 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-11724983-B2 Trisamide compounds and compositions comprising the same PTAR1, TIPRL, TCOF1 SIRT2 2926/4885HDAC3 967/4885HDAC1 662/4885
US-20040029873-A1 Fused ring heteroaryl and heterocyclic compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, LTB4R SIRT2 3405/4885HDAC3 1515/4885HDAC1 877/4885

“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.