SCHEMBL3188677

SCHEMBL3188677

CC(=O)NC(=O)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.62
▸ RAB9A P51151 7/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ NPC1 O15118 7/20 0.56
▸ GAA P10253 5/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ CES2 O00748 1/20 0.55
▸ CES1 P23141 1/20 0.55
▸ MAPT P10636 2/20 0.55
▸ PKM P14618 3/20 0.54
▸ AGTR1 P30556 2/20 0.54
▸ OPRK1 P41145 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ NAPRT Q6XQN6 1/20 0.53
▸ P4HTM Q9NXG6 1/20 0.53
▸ HDAC3 O15379 1/20 0.53

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
SCHEMBL4508472 0.88 CES2 (0.64) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL28727383 0.86 CES2 (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
Azapicyl SCHEMBL24931095 0.83 KDM4E (0.68) ALDH1A1RAB9ASMN1; SMN2NPC1HTT
SCHEMBL8597610 0.82 LMNA (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL2932341 0.82 ALDH1A1 (0.55) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL29852031 0.81 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL1693590 0.81 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL917323 0.81 HDAC6 (0.57) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL12720841 0.80 RAB9A (0.88) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL14679342 0.80 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655699-B1 Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors EISAI INC. (US) 2010-02-02 — — US disclosed
US-20060106072-A1 Compounds having selective activity for Retinoid X Receptors, and means for modulation of processes mediated by Retinoid X Receptors EISAI INC. 2006-05-18 — — US disclosed
EP-0983991-B1 Compounds having selectivity for retinoid x receptors LIGAND PHARM INC (US) 2003-12-17 — — EP disclosed
US-6610883-B1 Such as 3-methyl-5-(2-(2-(2,6,6-trimethylcyclohexen-1-yl)-ethenyl)phenyl)-2,4 -pentadienoic acid LIGAND PHARMACEUTICALS, INC. 2003-08-26 — — US disclosed
US-6320074-B1 IN VIVO MODULATION OF LIPID METABOLISM, SKIN-RELATED PROCESSES, AUTOIMMUNE DISEASES, FATTY ACID METABOLISM, MALIGNANT CELL DEVELOPMENT, PREMALIGNANT LESIONS, OR PROGRAMMED CELL DEATH LIGAND PHARMACEUTICALS INCORPORATED 2001-11-20 — — US disclosed
US-6043279-A COMPOUNDS USED FOR IN VIVO MODULATION OF LIPID METABOLISM, SKIN-RELATED PROCESSES, MALIGNANT CELL DEVELOPMENT, PREMALIGNANT LESIONS, PROGRAMMED CELL DEATH LIGAND PHARMACEUTICALS, INCORPORATED (US) 2000-03-28 — — US disclosed
EP-0983992-A2 Compounds having selectivity for retinoid x receptors LIGAND PHARMACEUTICALS, INC. (US) 2000-03-08 — — EP disclosed
EP-0983991-A2 Compounds having selectivity for retinoid x receptors LIGAND PHARMACEUTICALS, INC. (US) 2000-03-08 — — EP disclosed
US-5962731-A MODIFY LIPID METABOLISM; SKIN DISORDERS,; AUTOIMMUNE DISEASES; FATTY ACID METABOLISM; ANTITUMOR AGENTS LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-10-05 — — US disclosed
EP-0678087-B1 COMPOUNDS HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS, AND MEANS FOR MODULATION OF PROCESSES MEDIATED BY RETINOID X RECEPTORS LIGAND PHARM INC (US) 1999-03-17 — — EP disclosed
US-5780676-A BICYCLIC BENZYL, PYRIDINYL, THIOPHENE, FURANYL, PYRROLE, AND POLYENOIC ACID DERIVATIVES LIGAND PHARMACEUTICALS INCORPORATED (US) 1998-07-14 — — US disclosed
EP-0678086-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1995-10-25 — — EP disclosed
EP-0678087-A1 COMPOUNDS HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS, AND MEANS FOR MODULATION OF PROCESSES MEDIATED BY RETINOID X RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1995-10-25 — — EP disclosed
EP-0637297-A4 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS. LIGAND PHARM INC (US) 1995-09-20 — — EP disclosed
WO-1995004036-A1 COMPOUNDS HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS, AND MEANS FOR MODULATION OF PROCESSES MEDIATED BY RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1995-02-09 — — WO disclosed
EP-0637297-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1995-02-08 — — EP disclosed
WO-1994015902-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1994-07-21 — — WO disclosed
WO-1994015901-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1994-07-21 — — WO disclosed
WO-1993021146-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INCORPORATED (US) 1993-10-28 — — 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-20060106072-A1 Compounds having selective activity for Retinoid X Receptors, and means for modulation of processes mediated by Retinoid X Receptors RXRB, RXRA, RXRG ALDH1A1 1049/4885RAB9A 1887/4885SMN1; SMN2 4338/4885

“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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