SCHEMBL1420117

SCHEMBL1420117

O=C(Nc1ccccc1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TRPV4 Q9HBA0 1/20 0.48
CSF1R P07333 1/20 0.47
NPY2R P49146 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL3 Q96JM7 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HDAC4 P56524 1/20 0.46
MBTD1 Q05BQ5 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAF1 P04049 3/20 0.45
BRAF P15056 3/20 0.45

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
SCHEMBL1420327 0.94 TRPV4 (0.48) LMNATRPV4CSF1RNPY2RL3MBTL3
SCHEMBL1420533 0.93 TRPV4 (0.57) TRPV4CSF1RNPY2RHTTL3MBTL3
SCHEMBL1420819 0.92 NPY2R (0.53) LMNATRPV4CSF1RNPY2RL3MBTL3
SCHEMBL1420450 0.91 NPY2R (0.54) TRPV4CSF1RNPY2RMAPTRAB9A
SCHEMBL1420252 0.90 CSF1R (0.47) TRPV4CSF1RNPY2RL3MBTL3L3MBTL1
SCHEMBL1961881 0.90 CSF1R (0.47) TRPV4CSF1RNPY2RL3MBTL3L3MBTL1
SCHEMBL1420128 0.90 RHOC (0.52) TRPV4CSF1RNPY2R
SCHEMBL1420152 0.89 L3MBTL3 (0.47) LMNACSF1RNPY2RL3MBTL3L3MBTL1
SCHEMBL1420605 0.89 NPY2R (0.51) CSF1RNPY2RL3MBTL3L3MBTL1NPC1
SCHEMBL1420411 0.88 NPY2R (0.52) CSF1RNPY2RL3MBTL3L3MBTL1NPC1

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 LMNA 1620/4885TRPV4 3736/4885CSF1R 2076/4885

“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.