SCHEMBL1420193

SCHEMBL1420193

O=C(Nc1ccc(Br)c(Cl)c1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 5/20 0.51
CSF1R P07333 6/20 0.49
CHRM4 P08173 2/20 0.48
CHRM1 P11229 2/20 0.48
TRPV4 Q9HBA0 1/20 0.46
MAPT P10636 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAF1 P04049 1/20 0.43
LYN P07948 1/20 0.43
BRAF P15056 1/20 0.43
DDR1 Q08345 2/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1420438 0.92 CYP3A4 (0.54) NPY2RCSF1RCHRM4CHRM1TRPV4
SCHEMBL1420666 0.90 MAPT (0.54) NPY2RCSF1RTRPV4MAPTRAF1
SCHEMBL1420128 0.88 RHOC (0.52) NPY2RCSF1RTRPV4DDR1
SCHEMBL1420651 0.87 NPY2R (0.51) NPY2RCSF1RCHRM4CHRM1MAPT
SCHEMBL1420533 0.86 TRPV4 (0.57) NPY2RCSF1RTRPV4RAF1LYN
SCHEMBL1420605 0.85 NPY2R (0.51) NPY2RCSF1RRAF1BRAFDDR1
SCHEMBL1420444 0.85 CSF1R (0.47) NPY2RCSF1RCHRM4CHRM1TRPV4
SCHEMBL1420252 0.84 CSF1R (0.47) NPY2RCSF1RTRPV4RAF1LYN
SCHEMBL1961881 0.84 CSF1R (0.47) NPY2RCSF1RCHRM4CHRM1TRPV4
SCHEMBL1420411 0.84 NPY2R (0.52) NPY2RCSF1RRAF1BRAFDDR1

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 NPY2R 4064/4885CSF1R 2076/4885CHRM4 2869/4885

“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.