SCHEMBL4245353

SCHEMBL4245353

O=[N+]([O-])c1ccc(N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ALDH1A1 P00352 5/20 0.53
NPBWR1 P48145 1/20 0.53
MCHR1 Q99705 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALOX12 P18054 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ATM Q13315 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
NPY2R P49146 1/20 0.43
CRBN Q96SW2 2/20 0.41
MAPK1 P28482 2/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL4240910 0.83 MAPT (0.42) MAPTALDH1A1L3MBTL1LMNANPSR1
SCHEMBL4246582 0.83 DRD3 (0.54) MAPTALDH1A1L3MBTL1LMNANPSR1
SCHEMBL4248577 0.83 MAPT (0.45) MAPTALDH1A1L3MBTL1LMNANPSR1
SCHEMBL4245287 0.83 MAPT (0.42) MAPTALDH1A1L3MBTL1LMNANPSR1
SCHEMBL4400914 0.83 DRD2 (0.52) MAPTALDH1A1DRD2DRD4DRD3
SCHEMBL4252387 0.82 SMN1; SMN2 (0.53) MAPTL3MBTL1LMNAKMT2AHPGD
SCHEMBL4246703 0.82 OPRM1 (0.50) MAPTL3MBTL1LMNAKMT2ADRD2
SCHEMBL4245098 0.81 OPRM1 (0.45) MAPTLMNANPSR1DRD2DRD4
SCHEMBL4245772 0.81 OPRM1 (0.62) L3MBTL1DRD2DRD4DRD3
SCHEMBL4241368 0.81 OPRM1 (0.49) MAPTL3MBTL1KMT2ADRD2DRD4

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 MAPT 3880/4885ALDH1A1 4470/4885NPBWR1 2366/4885

“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.