SCHEMBL397887

SCHEMBL397887

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.48
PTPN2 P17706 2/20 0.44
PTPN6 P29350 1/20 0.43
PTPN11 Q06124 1/20 0.43
WNT3A P56704 6/20 0.39
P2RX3 P56373 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
THRB P10828 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL397133 0.84 PTPN1 (0.49) PTPN1PTPN2PTPN6PTPN11WNT3A
SCHEMBL9021861 0.84 PTPN1 (0.49) PTPN1PTPN2PTPN6PTPN11
SCHEMBL8974357 0.80 PTPN1 (0.45) PTPN1PTPN2PTPN6PTPN11
SCHEMBL24976331 0.72 KDM4E (0.53) PTPN1PTPN2PTPN6PTPN11
SCHEMBL72371 0.71 WNT3A (0.55) PTPN1PTPN2WNT3A
SCHEMBL10092630 0.71 PTPN1 (0.43) PTPN1PTPN2PTPN6PTPN11
SCHEMBL7896726 0.68 KCNQ3 (0.54)
SCHEMBL28103663 0.68 TDP1 (0.59) PTPN1PTPN2PTPN6PTPN11
SCHEMBL9673301 0.68 SMN1; SMN2 (0.54) CYP1A2CYP2C9CYP2C19
SCHEMBL16487202 0.68 RAB9A (0.59) PTPN1PTPN2WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TIDWELL RICHARD R 2006-12-28 US claimed
EP-1736466-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents The University of North Carolina at Chapel Hill (US) 2006-12-27 EP claimed
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-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
EP-1949896-A2 Linear dicationic terphenyls and their aza analogues as antiparasitic agents The University of North Carolina At Chapel Hill (US) 2008-07-30 EP 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-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TIDWELL RICHARD R 2006-12-28 US disclosed
EP-1736466-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents The University of North Carolina at Chapel Hill (US) 2006-12-27 EP 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 (3 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 PTPN1 1333/4885PTPN2 1243/4885PTPN6 982/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS PTPN1 2854/4885PTPN2 2353/4885PTPN6 2478/4885
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT PTPN1 1333/4885PTPN2 1243/4885PTPN6 982/4885

“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.