SCHEMBL4240400

SCHEMBL4240400

N#Cc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)CC2CF)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
SMO Q99835 4/20 0.38
KDM1A O60341 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
CETP P11597 2/20 0.35
KMT2A Q03164 1/20 0.35
SGPL1 O95470 2/20 0.35
HPGD P15428 1/20 0.35
DGAT1 O75907 1/20 0.34
AR P10275 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4240398 1.00 MAOB (0.44) MAOBSMOKDM1ASMN1; SMN2LMNA
SCHEMBL4243742 1.00 MAOB (0.44) MAOBSMOKDM1ASMN1; SMN2LMNA
SCHEMBL4245769 0.90 MAOB (0.46) MAOBSMOKDM1ASMN1; SMN2LMNA
SCHEMBL4242799 0.90 MAOB (0.46) MAOBSMOKDM1ASMN1; SMN2LMNA
SCHEMBL4247857 0.90 MAOB (0.46) MAOBSMOKDM1ASMN1; SMN2LMNA
SCHEMBL4242790 0.90 MAOB (0.46) MAOBSMOKDM1ASMN1; SMN2LMNA
SCHEMBL13590948 0.90 MAOB (0.46) MAOBSMOKDM1ASMN1; SMN2LMNA
SCHEMBL13590950 0.90 MAOB (0.46) MAOBSMOKDM1ASMN1; SMN2LMNA
SCHEMBL4071799 0.84 MAOB (0.50) MAOBSMOKDM1ASMN1; SMN2LMNA
SCHEMBL4250993 0.81 MAOB (0.47) MAOBSMOSMN1; SMN2LMNACETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US claimed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP claimed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO claimed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP disclosed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 MAOB 3474/4885SMO 1890/4885KDM1A 2220/4885

“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.