SCHEMBL2581301

SCHEMBL2581301

COc1ccc(C)cc1CC(=O)N1CCC(c2nc(C(=O)N(C)[C@@H]3CCCc4ccccc43)cs2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SPR P35270 1/20 0.37
ALDH1A1 P00352 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL5139147 0.92 ALDH1A1 (0.41) KMT2AMEN1SMN1; SMN2SPRALDH1A1
SCHEMBL2586402 0.92 KMT2A (0.42) KMT2AMEN1ALDH1A1XBP1HTT
SCHEMBL4789205 0.92 KMT2A (0.42) KMT2AMEN1ALDH1A1XBP1HTT
SCHEMBL778489 0.91 ALDH1A1 (0.39) KMT2AMEN1SPRALDH1A1XBP1
SCHEMBL15049603 0.84 ALDH1A1 (0.39) KMT2AMEN1SPRALDH1A1XBP1
SCHEMBL775883 0.83 HTT (0.41) KMT2AMEN1SMN1; SMN2SPRALDH1A1
SCHEMBL4759981 0.83 HTT (0.41) KMT2AMEN1SMN1; SMN2SPRALDH1A1
SCHEMBL2578184 0.81 SPR (0.40) KMT2AMEN1SMN1; SMN2SPRALDH1A1
SCHEMBL2584875 0.81 ALDH1A1 (0.38) KMT2AMEN1SMN1; SMN2SPRALDH1A1
SCHEMBL122901 0.78 GAA (0.40) KMT2AMEN1SMN1; SMN2SPRALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 KMT2A 404/4885MEN1 773/4885SMN1; SMN2 3646/4885

“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.