SCHEMBL6849640

SCHEMBL6849640

NC(=O)CCOc1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.57
KDM4E B2RXH2 4/20 0.56
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PPARG P37231 3/20 0.50
PPARD Q03181 3/20 0.50
FFAR1 O14842 2/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
HRH3 Q9Y5N1 3/20 0.48
CYP2D6 P10635 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
SCHEMBL6846925 0.93 KDM4E (0.58) WDR5KDM4ELMNAMAPK1HTT
SCHEMBL3728368 0.85 KDM4E (0.61) KDM4ELMNAMAPK1HTTSMN1; SMN2
SCHEMBL30025989 0.85 KDM4E (0.61) KDM4ELMNAMAPK1HTTSMN1; SMN2
SCHEMBL20591018 0.83 KDM4E (0.60) KDM4ELMNAMAPK1HTTSMN1; SMN2
SCHEMBL9205693 0.83 WDR5 (0.70) WDR5KDM4ELMNAPPARGPPARD
SCHEMBL11782966 0.81 KDM4E (0.57) KDM4EPPARGPPARDDRD2DRD4
SCHEMBL30025954 0.80 KDM4E (0.62) KDM4EPPARGPPARDFFAR1RXRA
SCHEMBL2914775 0.80 KDM4E (0.62) KDM4EPPARGPPARDFFAR1RXRA
SCHEMBL14668844 0.80 MTNR1A (0.59) KDM4ELMNAMAPK1SMN1; SMN2FFAR1
SCHEMBL9808215 0.80 LMNA (0.67) WDR5KDM4ELMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5730996-A Intercalates and expoliates formed with organic pesticide compounds and compositions containing the same AMCOL INTERNATIONAL CORPORATION (US) 1998-03-24 US claimed
US-6756384-B2 TREATMENT OF DISEASES AND DISORDERS RELATED TO THE HISTAMINE H3 RECEPTOR. NOVO NORDISK A/S (DK) 2004-06-29 US disclosed
US-20030135056-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2003-07-17 US disclosed
EP-1268484-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-6437147-B1 FOR THERAPY OF DISEASES OF CENTRAL NERVOUS SYSTEM, PERIPHERAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGICAL SYSTEM NOVO NORDISK (DK) 2002-08-20 US disclosed
US-20020058659-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2002-05-16 US disclosed
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 WO disclosed
US-5955094-A INTERCALATING A PHYLLOSILICATE WITH A PESTICIDE AMCOL INTERNATIONAL CORPORATION (US) 1999-09-21 US disclosed
US-5730996-A Intercalates and expoliates formed with organic pesticide compounds and compositions containing the same AMCOL INTERNATIONAL CORPORATION (US) 1998-03-24 US 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-20030135056-A1 Imidazole compounds HRH3, HRH4, HRH2 WDR5 1218/4885KDM4E 2142/4885LMNA 4098/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 WDR5 1218/4885KDM4E 2142/4885LMNA 4098/4885

“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.