SCHEMBL775883

SCHEMBL775883

CN(C(=O)c1csc(C2CCN(C(=O)Cc3cc(Cl)ccc3Cl)CC2)n1)[C@@H]1CCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
XBP1 P17861 1/20 0.41
CCR3 P51677 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SPR P35270 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL4759981 1.00 HTT (0.41) HTTALDH1A1XBP1CCR3MEN1
SCHEMBL2584875 0.91 ALDH1A1 (0.38) HTTALDH1A1XBP1MEN1KMT2A
SCHEMBL778489 0.86 ALDH1A1 (0.39) HTTALDH1A1XBP1MEN1KMT2A
SCHEMBL15049603 0.86 ALDH1A1 (0.39) HTTALDH1A1XBP1MEN1KMT2A
SCHEMBL4789205 0.85 KMT2A (0.42) HTTALDH1A1XBP1CCR3MEN1
SCHEMBL2586402 0.85 KMT2A (0.42) HTTALDH1A1XBP1CCR3MEN1
SCHEMBL776968 0.84 ALDH1A1 (0.41) HTTALDH1A1XBP1MEN1KMT2A
SCHEMBL2581301 0.83 KMT2A (0.39) HTTALDH1A1XBP1MEN1KMT2A
SCHEMBL5139147 0.83 ALDH1A1 (0.41) HTTALDH1A1XBP1CCR3MEN1
SCHEMBL2578184 0.81 SPR (0.40) HTTALDH1A1XBP1MEN1KMT2A

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 10 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 claimed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP claimed
US-20120070421-A1 Synergistic Fungicidal Mixtures BASF SE (DE) 2012-03-22 US claimed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US claimed
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
EP-2437604-A2 SYNERGISTIC FUNGICIDAL MIXTURES BASF SE (DE) 2012-04-11 EP disclosed
US-20120070421-A1 Synergistic Fungicidal Mixtures BASF SE (DE) 2012-03-22 US disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
WO-2010139656-A2 SYNERGISTIC FUNGICIDAL MIXTURES BASF SE (DE) 2010-12-09 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 (2 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 HTT 3478/4885ALDH1A1 649/4885XBP1 2977/4885
US-20120070421-A1 Synergistic Fungicidal Mixtures CYP1A2, CYP51A1, CYP3A7 HTT 4102/4885ALDH1A1 506/4885XBP1 2955/4885

“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.