SCHEMBL9023375

SCHEMBL9023375

CCOC(=O)NC(=S)Nc1ccc(-c2ccc(-c3ccc(NC(=S)NC(=O)OCC)cc3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL10688602 0.95 SMN1; SMN2 (0.57) SMN1; SMN2MAPTALDH1A1GAAKMT2A
SCHEMBL13313846 0.94 ALDH1A1 (0.58) SMN1; SMN2MAPTALDH1A1GAAKMT2A
SCHEMBL8974130 0.94 EPHX1 (0.55) SMN1; SMN2MAPTALDH1A1GAAKMT2A
SCHEMBL21597667 0.90 MEN1 (0.57) SMN1; SMN2MAPTALDH1A1GAAKMT2A
SCHEMBL23727080 0.88 EPHX1 (0.62) SMN1; SMN2MAPTALDH1A1GAAKMT2A
SCHEMBL23727417 0.88 EPHX1 (0.62) SMN1; SMN2MAPTALDH1A1GAAKMT2A
SCHEMBL8609963 0.88 ALDH1A1 (0.51) SMN1; SMN2MAPTALDH1A1GAAKMT2A
SCHEMBL1011218 0.87 ALDH1A1 (0.64) SMN1; SMN2MAPTALDH1A1GAAKMT2A
SCHEMBL23727669 0.86 MAPT (0.61) MAPTALDH1A1GAAKMT2AHPGD
SCHEMBL7066252 0.86 ALDH1A1 (0.72) SMN1; SMN2MAPTALDH1A1GAAKMT2A

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 8 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-8101636-B2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-24 US disclosed
US-8101636-B2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-24 US disclosed
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS TIDWELL RICHARD R 2011-10-20 US disclosed
US-7964619-B2 Teraryl components as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-06-21 US disclosed
US-7964619-B2 Teraryl components as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-06-21 US disclosed
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 US disclosed
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 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 (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-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT SMN1; SMN2 4834/4885MAPT 3388/4885ALDH1A1 2647/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS SMN1; SMN2 4870/4885MAPT 4028/4885ALDH1A1 1910/4885

“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.