SCHEMBL1420138

SCHEMBL1420138

O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(N2CCC(N3CCCC3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
L3MBTL3 Q96JM7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PTGS1 P23219 1/20 0.56
KDR P35968 4/20 0.54
NPY2R P49146 1/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PDGFRB P09619 2/20 0.53
KCNK3 O14649 1/20 0.52
RXFP1 Q9HBX9 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 1/20 0.52
FGFR1 P11362 1/20 0.51
DDR2 Q16832 1/20 0.51
P2RX1 P51575 1/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL1420819 0.91 NPY2R (0.53) MAPTL3MBTL3L3MBTL1PTGS1NPY2R
SCHEMBL1420450 0.90 NPY2R (0.54) MAPTPTGS1NPY2RKCNK3RXFP1
SCHEMBL1420186 0.89 NPY2R (0.51) MAPTL3MBTL3L3MBTL1KDRNPY2R
SCHEMBL1420274 0.89 P2RX1 (0.59) MAPTL3MBTL3L3MBTL1PTGS1KDR
SCHEMBL1420508 0.85 P2RX1 (0.51) MAPTL3MBTL3L3MBTL1PTGS1KDR
SCHEMBL1420689 0.84 BRAF (0.57) MAPTL3MBTL1NPY2RALDH1A1LMNA
SCHEMBL1420032 0.84 NPY2R (0.51) MAPTPTGS1NPY2RALDH1A1LMNA
SCHEMBL1420152 0.84 L3MBTL3 (0.47) MAPTL3MBTL3L3MBTL1PTGS1NPY2R
SCHEMBL1420185 0.84 NPC1 (0.60) MAPTL3MBTL3L3MBTL1ALDH1A1LMNA
SCHEMBL1420034 0.83 SMN1; SMN2 (0.56) MAPTL3MBTL3L3MBTL1NPY2RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524365-A 2011-09-01 JP claimed
US-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-06-16 US claimed
EP-2297097-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-03-23 EP claimed
WO-2009152356-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2009-12-17 WO claimed
US-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-06-16 US disclosed
US-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-06-16 US disclosed
EP-2297097-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-03-23 EP disclosed
WO-2009152356-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2009-12-17 WO disclosed
WO-2009152356-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2009-12-17 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-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA G6PD, DHFR, SGMS1 MAPT 1077/4885L3MBTL3 3831/4885L3MBTL1 3493/4885

“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.