SCHEMBL1420170

SCHEMBL1420170

O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(N2CCC(N3CCCC3)CC2)nc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATF1 P18846 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ PTPN11 Q06124 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ USP2 O75604 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ CAMK1D Q8IU85 3/20 0.49
▸ MAP3K7 O43318 1/20 0.49
▸ CSF1R P07333 1/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ MAPK3 P27361 1/20 0.49
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL1420131 0.90 ATF1 (0.67) ATF1NFKB1PTPN11LMNANPY2R
SCHEMBL12552982 0.90 ATF1 (0.57) ATF1NFKB1MEN1KMT2APTPN11
SCHEMBL12553073 0.79 ATF1 (0.52) ATF1NFKB1PTPN11SMN1; SMN2KDM4E
SCHEMBL1420576 0.79 NPY2R (0.56) MEN1KMT2ASMN1; SMN2KDM4EUSP2
SCHEMBL12580941 0.79 NPY2R (0.54) MEN1KMT2ASMN1; SMN2KDM4EUSP2
SCHEMBL1420689 0.78 BRAF (0.57) MEN1KMT2ASMN1; SMN2KDM4EUSP2
SCHEMBL1420138 0.77 MAPT (0.58) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL1420819 0.76 NPY2R (0.53) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL1420450 0.76 NPY2R (0.54) MEN1KMT2ACSF1RNPY2RBRAF
SCHEMBL1864557 0.75 NFKB1 (0.78) ATF1NFKB1MEN1KMT2A

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 8 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

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 ATF1 3628/4885NFKB1 2024/4885MEN1 837/4885

“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.

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