SCHEMBL1420274

SCHEMBL1420274

O=C(Nc1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.59
MAPT P10636 2/20 0.51
NPY2R P49146 1/20 0.51
CCR2 P41597 2/20 0.50
LMNA P02545 2/20 0.50
KCNH2 Q12809 1/20 0.50
PTGS1 P23219 2/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
KCNK3 O14649 1/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47
LYN P07948 1/20 0.47

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
SCHEMBL1420034 0.92 SMN1; SMN2 (0.56) P2RX1MAPTNPY2RLMNAALDH1A1
SCHEMBL1420508 0.92 P2RX1 (0.51) P2RX1MAPTNPY2RCCR2LMNA
SCHEMBL1420819 0.92 NPY2R (0.53) P2RX1MAPTNPY2RLMNAPTGS1
SCHEMBL1420235 0.91 TDP1 (0.59) P2RX1MAPTNPY2RRXFP1KCNK3
SCHEMBL1420450 0.91 NPY2R (0.54) P2RX1MAPTNPY2RPTGS1RXFP1
SCHEMBL1420252 0.91 CSF1R (0.47) P2RX1NPY2RL3MBTL3L3MBTL1CSF1R
SCHEMBL1420138 0.89 MAPT (0.58) P2RX1MAPTNPY2RLMNAPTGS1
SCHEMBL1420475 0.89 RXFP1 (0.52) P2RX1NPY2RCCR2RXFP1TDP1
SCHEMBL1961881 0.89 CSF1R (0.47) P2RX1NPY2RRXFP1L3MBTL3L3MBTL1
SCHEMBL1420414 0.88 NPY2R (0.55) MAPTNPY2RCCR2LMNAKCNH2

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 10 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
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 P2RX1 3974/4885MAPT 1077/4885NPY2R 4064/4885

“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.