SCHEMBL8974357

SCHEMBL8974357

CCOC(=O)NC(=S)Nc1ccc(-c2ccc(-c3ccc(NC(=S)NC(C)=O)cn3)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EPHX1 P07099 6/20 0.43
PTPN2 P17706 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL9021861 0.95 PTPN1 (0.49) PTPN1ALDH1A1MEN1KMT2APTPN2
SCHEMBL8974130 0.85 EPHX1 (0.55) ALDH1A1MEN1KMT2AEPHX1GAA
SCHEMBL397133 0.81 PTPN1 (0.49) PTPN1PTPN2PTPN6PTPN11NPC1
SCHEMBL397887 0.80 PTPN1 (0.48) PTPN1PTPN2PTPN6PTPN11
SCHEMBL9023375 0.79 SMN1; SMN2 (0.53) ALDH1A1MEN1KMT2AGAAHTT
SCHEMBL10688602 0.78 SMN1; SMN2 (0.57) ALDH1A1MEN1KMT2AGAAHTT
SCHEMBL13313846 0.75 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AEPHX1GAA
SCHEMBL21597667 0.74 MEN1 (0.57) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL23727281 0.73 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL23727080 0.72 EPHX1 (0.62) ALDH1A1MEN1KMT2AEPHX1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188121-B2 Substituted pyridines as antiparasitic AZA teraryl compounds THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS TIDWELL RICHARD R 2011-10-20 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-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS PTPN1 2854/4885ALDH1A1 1910/4885MEN1 3473/4885

“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.