SCHEMBL1420176

SCHEMBL1420176

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 4/20 0.42
▸ NPY2R P49146 1/20 0.41
▸ TTR P02766 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MCHR1 Q99705 3/20 0.39
▸ CCR4 P51679 6/20 0.39
▸ L3MBTL3 Q96JM7 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL12552673 0.88 RBP4 (0.48) RBP4TTRKDM4EHPGDHSD17B10
SCHEMBL5519910 0.87 RBP4 (0.43) RBP4TTRKDM4EHPGDHSD17B10
SCHEMBL5524235 0.86 ALDH1A1 (0.45) RBP4TTRKDM4EHPGDHSD17B10
SCHEMBL12552663 0.84 MAPK1 (0.43) KDM4EHPGDHSD17B10MCHR1L3MBTL3
SCHEMBL5527465 0.84 KDM4E (0.58) RBP4TTRKDM4EUSP2HPGD
SCHEMBL5525363 0.84 HRH4 (0.46) RBP4TTRKDM4EUSP2HPGD
SCHEMBL12552670 0.84 RBP4 (0.55) RBP4TTRKDM4EUSP2HPGD
SCHEMBL12580645 0.79 CCR4 (0.38) NPY2RKDM4EHPGDCCR4L3MBTL3
SCHEMBL1420086 0.79 NPY2R (0.47) NPY2RHPGDNPSR1MCHR1KCNH2
SCHEMBL5528147 0.78 PIK3CA (0.47) KDM4ENPSR1HSD17B10L3MBTL1

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 5 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 disclosed
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 RBP4 850/4885NPY2R 4064/4885TTR 878/4885

“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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