SCHEMBL398237

SCHEMBL398237

Brc1ccc(-c2ccc(-c3ccc(Br)o3)cc2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 5/20 0.47
POLB P06746 2/20 0.47
TP53 P04637 2/20 0.44
MAPT P10636 6/20 0.42
HSD17B10 Q99714 6/20 0.42
HPGD P15428 3/20 0.42
PRNP P04156 2/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TSHR P16473 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALPG P10696 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2436438 0.88 KDM4E (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL12230559 0.87 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL11983825 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL24670424 0.82 HRH3 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13167116 0.82 NPC1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL15827302 0.81 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1869661 0.81 TDP1 (0.59) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL19926009 0.79 MAPT (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL13167115 0.79 NPC1 (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3508193 0.78 NQO2 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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 21 patents — showing the first 20. 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-8188121-B2 Substituted pyridines as antiparasitic AZA teraryl compounds THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
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-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-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS TIDWELL RICHARD R 2011-10-20 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
CN-101270081-A Linear dicationic terphenyls and aza analogs thereof as antiparasitic agents UNIV GEORGIA STATE (US) 2008-09-24 CN 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
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-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
CN-1990477-A Linear dicationic terphenyls and their aza analogues as antiparasitic agents UNIV NORTH CAROLINA CHAPEL HILL (US) 2007-07-04 CN 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 NPC1 1749/4885RAB9A 1623/4885SMN1; SMN2 4834/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS NPC1 688/4885RAB9A 734/4885SMN1; SMN2 4870/4885
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT NPC1 1749/4885RAB9A 1623/4885SMN1; SMN2 4834/4885

“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.