SCHEMBL4068707

SCHEMBL4068707

N#Cc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)C(C(F)(F)F)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
KDM1A O60341 4/20 0.40
SGPL1 O95470 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SMO Q99835 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KMT2A Q03164 2/20 0.33
KIF11 P52732 1/20 0.33
CCR6 P51684 1/20 0.33
DGAT1 O75907 1/20 0.33
STAT3 P40763 1/20 0.33
CETP P11597 1/20 0.33
DRD4 P21917 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL4068716 1.00 MAOB (0.46) MAOBKDM1ASGPL1LMNASMN1; SMN2
SCHEMBL4247547 1.00 MAOB (0.46) MAOBKDM1ASGPL1LMNASMN1; SMN2
SCHEMBL13590947 0.91 MAOB (0.45) MAOBKDM1ASGPL1SMO
SCHEMBL13590946 0.91 MAOB (0.45) MAOBKDM1ASGPL1SMO
SCHEMBL4249119 0.91 MAOB (0.45) MAOBKDM1ASGPL1SMO
SCHEMBL13592388 0.90 MAOB (0.44) MAOBKDM1ASGPL1LMNASMN1; SMN2
SCHEMBL4255214 0.89 MAOB (0.44) MAOBKDM1ASGPL1LMNASMN1; SMN2
SCHEMBL4249354 0.88 MAOB (0.43) MAOBKDM1ASGPL1LMNASMN1; SMN2
SCHEMBL1075976 0.88 NR1H2 (0.36) MAOBKDM1ASGPL1LMNASMN1; SMN2
SCHEMBL1075975 0.88 NR1H2 (0.36) MAOBKDM1ASGPL1LMNASMN1; SMN2

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 8 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
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN 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
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN 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 3474/4885KDM1A 2220/4885SGPL1 656/4885

“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.