SCHEMBL1961348

SCHEMBL1961348

O=C(Nc1cccc(OC(F)(F)F)c1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 2/20 0.48
NPY2R P49146 1/20 0.47
NPY5R Q15761 1/20 0.47
PIM1 P11309 2/20 0.46
RAF1 P04049 4/20 0.45
BRAF P15056 4/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CSF1R P07333 1/20 0.44
NTRK1 P04629 2/20 0.44
NTRK2 Q16620 1/20 0.44

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
SCHEMBL1420081 0.90 TRPV1 (0.52) DDR1NPY2RCSF1R
SCHEMBL1420819 0.89 NPY2R (0.53) NPY2RRAF1BRAFRAB9ACSF1R
SCHEMBL1420450 0.88 NPY2R (0.54) NPY2RRAF1BRAFRAB9ACSF1R
SCHEMBL1420117 0.87 LMNA (0.49) NPY2RRAF1BRAFNPC1RAB9A
SCHEMBL1420605 0.86 NPY2R (0.51) DDR1NPY2RNPY5RRAF1BRAF
SCHEMBL1420152 0.86 L3MBTL3 (0.47) NPY2RRAF1BRAFCSF1RNTRK1
SCHEMBL1420411 0.85 NPY2R (0.52) DDR1NPY2RNPY5RRAF1BRAF
SCHEMBL1420041 0.84 RHOA (0.53) NPY2RRAF1BRAFCSF1RNTRK1
SCHEMBL1420533 0.84 TRPV4 (0.57) NPY2RRAF1BRAFNPC1RAB9A
SCHEMBL1961881 0.84 CSF1R (0.47) DDR1NPY2RRAF1BRAFCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144107-A1 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2011-06-16 US 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

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 DDR1 4834/4885NPY2R 4064/4885NPY5R 3060/4885

“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.