SCHEMBL3633102

SCHEMBL3633102

Cc1ccc(-c2cc(C(=O)N/N=C/c3cc(Br)c(O)c(Br)c3)c3ccccc3n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.67
KMT2A Q03164 10/20 0.67
LMNA P02545 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
POLB P06746 1/20 0.63
GAA P10253 2/20 0.60
USP2 O75604 1/20 0.60
KDM4E B2RXH2 2/20 0.59
HSP90AA1 P07900 1/20 0.59
MAPT P10636 1/20 0.59
AGTR1 P30556 1/20 0.59
OPRK1 P41145 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL3633107 1.00 MEN1 (0.67) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL3633314 0.92 KDM4E (0.69) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL3633319 0.92 KDM4E (0.69) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL3626414 0.90 KMT2A (0.67) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL3626413 0.90 KMT2A (0.67) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL3626872 0.90 MEN1 (0.72) MEN1KMT2APOLBGAAUSP2
SCHEMBL3626868 0.90 MEN1 (0.72) MEN1KMT2APOLBGAAUSP2
SCHEMBL3632066 0.87 RAB9A (0.73) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL3632063 0.87 RAB9A (0.73) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL1672324 0.82 KDM4E (0.73) MEN1KMT2ALMNASMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142498-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF Institute for Oneworld Health (US) 2010-01-13 EP claimed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US claimed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 WO claimed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
EP-2142498-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF Institute for Oneworld Health (US) 2010-01-13 EP disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US disclosed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 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-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 MEN1 2759/4885KMT2A 4688/4885LMNA 4314/4885

“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.