SCHEMBL4240508

SCHEMBL4240508

COc1cc(CC(=O)Br)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
KDM4E B2RXH2 2/20 0.51
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK10 P53779 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALOX15 P16050 1/20 0.46

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
SCHEMBL7046945 0.84 PTGS2 (0.57) PTGS2KDM4EHTR2AHTR2CHTR2B
SCHEMBL499116 0.82 GAA (0.61) PTGS2KDM4EHTR2AHTR2CHTR2B
SCHEMBL4965033 0.82 PTGS2 (0.55) PTGS2KDM4EHTR2AHTR2CHTR2B
SCHEMBL2307800 0.82 PTGS2 (0.55) PTGS2KDM4EHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL4002124 0.81 GAA (0.59) PTGS2KDM4EHTR2AHTR2CHTR2B
SCHEMBL7131019 0.81 KMT2A (0.58) PTGS2KDM4EALDH1A1MAPK1KMT2A
SCHEMBL1991744 0.81 PTGS2 (0.53) PTGS2KDM4EHTR2AHTR2CHTR2B
SCHEMBL2272890 0.81 PTGS2 (0.53) PTGS2KDM4EHTR2AHTR2CHTR2B
SCHEMBL192064 0.81 PTGS2 (0.53) PTGS2KDM4EHTR2AHTR2CHTR2B
SCHEMBL4683243 0.81 KDM4E (0.55) PTGS2KDM4EHTR2AHTR2CHTR2B

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-7638546-B1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2009-12-29 US disclosed
US-7566734-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-07-28 US disclosed
US-20070299073-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2007-12-27 US disclosed
US-7238695-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2007-07-03 US disclosed
EP-1305294-B1 IMIDAZOLYL DERIVATIVES SOD CONSEILS RECH APPLIC (FR) 2007-04-25 EP disclosed
EP-1086086-B1 IMIDAZOLYL DERIVATIVES AND THEIR USE AS SOMATOSTATIN RECEPTOR LIGANDS CONSEILS DE RECH SET D APPLIC (FR) 2004-10-13 EP disclosed
US-20040176379-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2004-09-09 US disclosed
EP-1086086-A1 IMIDAZOLYL DERIVATIVES AND THEIR USE AS SOMATOSTATIN RECEPTOR LIGANDS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2001-03-28 EP disclosed
WO-1999064401-A2 IMIDAZOLYL DERIVATIVES AND THEIR USE AS SOMATOSTATIN RECEPTOR LIGANDS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES SAS (FR) 1999-12-16 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-20070299073-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 PTGS2 2698/4885KDM4E 3035/4885HTR2A 245/4885
US-20040176379-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 PTGS2 2621/4885KDM4E 3168/4885HTR2A 258/4885

“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.