SCHEMBL1420086

SCHEMBL1420086

CC(C)(C)c1cc(C(=O)Nc2cccc(Cl)c2)nc(N2CCC(N3CCCC3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 4/20 0.47
▸ MCHR1 Q99705 3/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ ALPL P05186 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ IRAK4 Q9NWZ3 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
SCHEMBL1420576 0.88 NPY2R (0.56) NPY2RKMT2AALDH1A1TSHRMEN1
SCHEMBL1420557 0.88 USP2 (0.50) NPY2RMCHR1KCNH2KMT2AALPL
SCHEMBL12580771 0.86 MCHR1 (0.45) NPY2RMCHR1KCNH2KMT2AALPL
SCHEMBL1420176 0.79 RBP4 (0.42) NPY2RMCHR1KCNH2HPGDNPSR1
SCHEMBL1420131 0.76 ATF1 (0.67) NPY2RLMNA
SCHEMBL12580941 0.76 NPY2R (0.54) NPY2RKMT2AALDH1A1TSHRMEN1
SCHEMBL1420185 0.74 NPC1 (0.60) KMT2AALPLALPIALPGTDP1
SCHEMBL12552663 0.73 MAPK1 (0.43) MCHR1KCNH2KMT2AALDH1A1HPGD
SCHEMBL1420046 0.73 SMN1; SMN2 (0.50) KMT2AALPLALPIALPGTDP1
SCHEMBL1420605 0.73 NPY2R (0.51) NPY2RMCHR1KMT2AALPLALPI

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 7 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
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 NPY2R 4064/4885MCHR1 1844/4885KCNH2 2529/4885

“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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