SCHEMBL2578100

SCHEMBL2578100

CN(C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)[C@@H]1CCCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.41
ALDH1A1 P00352 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.40
NAMPT P43490 1/20 0.40
KDM1A O60341 1/20 0.39
USP30 Q70CQ3 2/20 0.39
SPR P35270 1/20 0.39
ACKR3 P25106 1/20 0.39
FAAH O00519 1/20 0.38
HPGDS O60760 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37

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
SCHEMBL440381 0.85 ALDH1A1 (0.42) GPR119ALDH1A1XBP1HTTMEN1
SCHEMBL3143239 0.84 GPR119 (0.48) GPR119ALDH1A1XBP1HTTMEN1
SCHEMBL4554025 0.84 GPR119 (0.48) GPR119ALDH1A1XBP1HTTMEN1
SCHEMBL2579967 0.83 NAMPT (0.42) GPR119ALDH1A1XBP1HTTMEN1
SCHEMBL4789205 0.81 KMT2A (0.42) ALDH1A1XBP1HTTMEN1KMT2A
SCHEMBL2586402 0.81 KMT2A (0.42) ALDH1A1XBP1HTTMEN1KMT2A
Hydrochloric Acid SCHEMBL2584364 0.81 ALDH1A1 (0.47) ALDH1A1XBP1HTTMEN1KMT2A
Hydrochloric Acid SCHEMBL4755003 0.81 ALDH1A1 (0.47) ALDH1A1XBP1HTTMEN1KMT2A
SCHEMBL16392288 0.80 GPR119 (0.46) GPR119MEN1KMT2AUSP30FAAH
SCHEMBL14143491 0.79 SPR (0.38) ALDH1A1XBP1HTTMEN1KMT2A

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 GPR119 1256/4885ALDH1A1 649/4885XBP1 2977/4885

“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.