SCHEMBL645150

SCHEMBL645150

C[CH]NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 2/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
LMNA P02545 1/20 0.54
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
HTT P42858 1/20 0.51
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MIF P14174 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL16069010 0.86 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL16061893 0.86 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL16061894 0.86 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1415895 0.84 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL8775648 0.84 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL8924844 0.83 NPC1 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL483306 0.82 TGM2 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL14855359 0.82 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL3928127 0.82 LMNA (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL7448378 0.82 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312310-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2008-12-18 US claimed
EP-1554265-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2008-05-07 EP claimed
EP-1554265-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2005-07-20 EP claimed
WO-2004024086-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-03-25 WO claimed
EP-1060178-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER (US) 2003-09-03 EP claimed
US-6610707-B1 Moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases and nerve damage. PFIZER INC. 2003-08-26 US claimed
EP-1060178-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 2000-12-20 EP claimed
WO-1999045006-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 1999-09-10 WO claimed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO claimed
EP-0329013-A2 Renin-inhibiting amino acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP claimed
EP-0047079-B1 NONAPEPTIDES AFFECTING GONADAL FUNCTION THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1984-02-22 EP claimed
CN-112105385-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2020-12-18 CN disclosed
US-20140357654-A1 METHODS OF TREATING SCHIZOPHRENIA WITH PHENYLALANINE ENAMIDE DERIVATIVE INHIBITORS OF a4 INTEGRIN POSSESSING A CYCLOBUTENE GROUP AESTUS THERAPEUTICS, INC. (US) 2014-12-04 US disclosed
EP-2775840-A1 METHODS OF TREATING SCHIZOPHRENIA WITH PHENYLALANINE ENAMIDE DERIVATIVE INHIBITORS OF 4 INTEGRIN POSSESSING A CYCLOBUTENE GROUP Aestus Therapeutics, Inc. (US) 2014-09-17 EP disclosed
CN-103649076-A Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as trka kinase inhibitors ARRAY BIOPHARMA INC 2014-03-19 CN disclosed
EP-0266978-A2 Novel antibacterial agents and potentiators of carbapenem antibiotics MERCK & CO. INC. (US) 1988-05-11 EP disclosed
EP-0117448-B1 PROCESS FOR THE PREPARATION OF N-ALKYLATED AMINO ACIDS AND THEIR ESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-03 EP disclosed
EP-0117448-A1 Process for the preparation of N-alkylated amino acids and their esters HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-05 EP disclosed
US-4461761-A IMMUNO-REGULATORS AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1984-07-24 US disclosed
EP-0047079-B1 NONAPEPTIDES AFFECTING GONADAL FUNCTION THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1984-02-22 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-20080312310-A1 Compounds, Compositions and Methods ALPP, PCNA, MKI67 ALDH1A1 2631/4885NPC1 170/4885RAB9A 2909/4885
US-20140357654-A1 METHODS OF TREATING SCHIZOPHRENIA WITH PHENYLALANINE ENAMIDE DERIVATIVE INHIBITORS OF a4 INTEGRIN POSSESSING A CYCLOBUTENE GROUP ITGA4, ITGB4, EPB41 ALDH1A1 522/4885NPC1 4589/4885RAB9A 3077/4885

“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.