SCHEMBL1420508

SCHEMBL1420508

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.51
NPY2R P49146 1/20 0.49
CCR2 P41597 3/20 0.49
KCNH2 Q12809 1/20 0.49
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.48
PTGS1 P23219 2/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
KCNK3 O14649 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CSF1R P07333 1/20 0.46
LYN P07948 1/20 0.46

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
SCHEMBL1420274 0.92 P2RX1 (0.59) P2RX1NPY2RCCR2KCNH2MAPT
SCHEMBL1420186 0.89 NPY2R (0.51) NPY2RCCR2KCNH2MAPTRAB9A
SCHEMBL1420034 0.89 SMN1; SMN2 (0.56) P2RX1NPY2RMAPTRAB9ANPC1
SCHEMBL12552711 0.86 TDP1 (0.62) NPY2RKCNH2MAPTRAB9ANPC1
SCHEMBL1420220 0.86 NPC1 (0.58) MAPTRAB9ANPC1TP53TSHR
SCHEMBL1420090 0.85 CSF1R (0.45) P2RX1NPY2RLCKCSF1RLYN
SCHEMBL1420138 0.85 MAPT (0.58) P2RX1NPY2RMAPTTP53SMN1; SMN2
SCHEMBL1420819 0.84 NPY2R (0.53) P2RX1NPY2RMAPTRAB9ASMN1; SMN2
SCHEMBL1420235 0.84 TDP1 (0.59) P2RX1NPY2RMAPTRAB9ANPC1
SCHEMBL1420450 0.83 NPY2R (0.54) P2RX1NPY2RMAPTRAB9APTGS1

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 P2RX1 3974/4885NPY2R 4064/4885CCR2 2572/4885

“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.