SCHEMBL3465245

SCHEMBL3465245

COC(=O)C(c1ccccc1OC)n1cncc1CCNCc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CHEK1 O14757 2/20 0.41
MEN1 O00255 3/20 0.40
HTR2A P28223 1/20 0.40
ATM Q13315 1/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MPO P05164 1/20 0.38
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
KCNH2 Q12809 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL3465184 0.82 CYP11B1 (0.37) KMT2ACYP11B1CYP11B2MEN1NPSR1
SCHEMBL3465188 0.77 GABRA1 (0.36) KMT2ACYP11B1CYP11B2MEN1
SCHEMBL3465242 0.75 CYP11B1 (0.33) KMT2AALDH1A1CYP11B1CYP11B2MEN1
SCHEMBL3466250 0.65 CYP11B2 (0.44) CYP11B1CYP11B2
SCHEMBL13160966 0.65 MAPK1 (0.48) KMT2AALDH1A1CYP11B1CYP11B2MEN1
SCHEMBL19763074 0.64 CYP11B2 (0.43) CYP11B1CYP11B2
SCHEMBL17894243 0.64 CYP11B2 (0.42) CYP11B1CYP11B2
SCHEMBL14415976 0.62 CYP3A4 (0.52) KMT2AMEN1MAPTMPOEPHX2
SCHEMBL22919816 0.61 SMN1; SMN2 (0.35) ALDH1A1CYP11B1CYP11B2
SCHEMBL9823631 0.61 MAPK1 (0.52) KMT2AALDH1A1CYP11B1CYP11B2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262807-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2010-12-22 EP disclosed
US-20100240641-A1 Aldosterone Synthase and/or 11B-hydroxylase Inhibitors PAPILLON JULIEN 2010-09-23 US disclosed
US-20100240641-A1 Aldosterone Synthase and/or 11B-hydroxylase Inhibitors PAPILLON JULIEN 2010-09-23 US disclosed
US-20100240641-A1 Aldosterone Synthase and/or 11B-hydroxylase Inhibitors PAPILLON JULIEN 2010-09-23 US disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO disclosed
EP-2029604-A2 ALDOSTERONE SYNTHASE AND/OR 11BETA-HYDROXYLASE INHIBITORS Novartis AG (CH) 2009-03-04 EP disclosed
WO-2007139992-A2 ALDOSTERONE SYNTHASE AND/OR 11β-HYDROXYLASE INHIBITORS NOVARTIS AG (CH) 2007-12-06 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-20100240641-A1 Aldosterone Synthase and/or 11B-hydroxylase Inhibitors HSD11B1, HSD11B2, CYP11B1 KMT2A 2253/4885ALDH1A1 251/4885KDM4E 2292/4885

“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.