SCHEMBL12580941

SCHEMBL12580941

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 3/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ BRAF P15056 7/20 0.52
▸ RAF1 P04049 2/20 0.52
▸ IDH2 P48735 4/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ TRPV4 Q9HBA0 2/20 0.46

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) NPY2RMEN1KMT2AALDH1A1BRAF
SCHEMBL12580771 0.87 MCHR1 (0.45) NPY2RMEN1KMT2AALDH1A1LMNA
SCHEMBL1420170 0.79 ATF1 (0.58) NPY2RMEN1KMT2AALDH1A1BRAF
SCHEMBL1420557 0.76 USP2 (0.50) NPY2RMEN1KMT2AALDH1A1KDM4E
SCHEMBL1420086 0.76 NPY2R (0.47) NPY2RMEN1KMT2AALDH1A1LMNA
SCHEMBL1420138 0.76 MAPT (0.58) NPY2RMEN1KMT2AALDH1A1KDM4E
SCHEMBL1420819 0.75 NPY2R (0.53) NPY2RMEN1KMT2AALDH1A1BRAF
SCHEMBL1420689 0.75 BRAF (0.57) NPY2RMEN1KMT2AALDH1A1BRAF
SCHEMBL1420450 0.74 NPY2R (0.54) NPY2RMEN1KMT2ABRAFRAF1
SCHEMBL1420186 0.73 NPY2R (0.51) NPY2RMEN1KMT2AALDH1A1KDM4E

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 1 patent. 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

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 4064/4885MEN1 837/4885KMT2A 3409/4885

“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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