SCHEMBL3774027

SCHEMBL3774027

Cc1ccccc1NC(=O)Nc1ccc(C[C]=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.58
▸ NPC1 O15118 5/20 0.58
▸ MAPT P10636 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ DDX3X O00571 3/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ THRB P10828 1/20 0.54
▸ ITGB1 P05556 9/20 0.53
▸ ITGA4 P13612 8/20 0.53
▸ GHSR Q92847 1/20 0.52
▸ ITGB3 P05106 1/20 0.49
▸ ITGAV P06756 1/20 0.49
▸ ITGA5 P08648 1/20 0.49
▸ IMPDH2 P12268 1/20 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
SCHEMBL5272228 0.84 NPC1 (0.54) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL14561170 0.84 RAB9A (0.67) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL7104543 0.84 RAB9A (0.62) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL5274549 0.83 SMN1; SMN2 (0.61) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL7100059 0.82 RAB9A (0.61) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL5683215 0.82 DDX3X (0.65) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL3485567 0.81 ITGB1 (0.67) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL8231040 0.81 ITGB1 (0.61) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL14500971 0.81 RAB9A (0.59) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL29612679 0.81 ITGB1 (0.67) RAB9ANPC1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191171-B1 ANTAGONISTS, USEFUL IN INHIBITION OR PREVENTION OF CELL ADHESION AND CELL-ADHESION MEDIATED PATHOLOGIES; FOR DRUGS FOR TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION, MULTIPLE SCLEROSIS, AND OTHER INFLAMMATORY AND AUTOIMMUNE DISORDERS MERCK & CO., INC. 2001-02-20 — — US claimed
WO-1999026923-A1 PARA-AMINOMETHYLARYL CARBOXAMIDE DERIVATIVES MERCK & CO., INC. (US) 1999-06-03 — — WO claimed
US-8486370-B2 Heterocyclic ligands for integrin imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-16 — — US disclosed
US-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-09 — — US disclosed
US-7576175-B2 Amino acid terminated diphenylurea derivatives; display high binding affinity, specificity, and stability; use in treating cancer, inflammatory diseases, and autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-18 — — US disclosed
WO-2008031016-A2 HETEROCYCLIC LIGANDS FOR INTEGRIN IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-13 — — WO disclosed
EP-0842196-B1 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2007-11-21 — — EP disclosed
WO-2005122379-A9 ALPHA-4 BETA-1 INTEGRIN LIGANDS FOR IMAGING AND THERAPY UNIV CALIFORNIA (US) 2006-03-09 — — WO disclosed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 — — US disclosed
WO-2005122379-A2 ALPHA-4 BETA-1 INTEGRIN LIGANDS FOR IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-22 — — WO disclosed
EP-1091943-B1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PROD INC (US) 2005-11-30 — — EP disclosed
WO-2001051487-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PRODUCTS INC. (US) 2001-07-19 — — WO disclosed
US-6248713-B1 OLIGOPEPTIDE FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BIOGEN, INC. 2001-06-19 — — US disclosed
EP-1091943-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES Pfizer Products Inc. (US) 2001-04-18 — — EP disclosed
US-6191171-B1 ANTAGONISTS, USEFUL IN INHIBITION OR PREVENTION OF CELL ADHESION AND CELL-ADHESION MEDIATED PATHOLOGIES; FOR DRUGS FOR TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION, MULTIPLE SCLEROSIS, AND OTHER INFLAMMATORY AND AUTOIMMUNE DISORDERS MERCK & CO., INC. 2001-02-20 — — US disclosed
US-6020347-A 4-substituted-4-piperidine carboxamide derivatives MERCK & CO., INC. (US) 2000-02-01 — — US disclosed
WO-2000000477-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PRODUCTS INC. (US) 2000-01-06 — — WO disclosed
WO-1999026923-A1 PARA-AMINOMETHYLARYL CARBOXAMIDE DERIVATIVES MERCK & CO., INC. (US) 1999-06-03 — — WO disclosed
WO-1999025685-A1 4-SUBSTITUTED-4-PIPERIDINE CARBOXAMIDE DERIVATIVES MERCK & CO., INC. (US) 1999-05-27 — — WO disclosed
EP-0842196-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1998-05-20 — — EP 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-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy ITGA1, ITGAL, ITGA4 RAB9A 1592/4885NPC1 3565/4885MAPT 4088/4885
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 RAB9A 2130/4885NPC1 2481/4885MAPT 3133/4885

“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.

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