SCHEMBL395286

SCHEMBL395286

O=Cc1ccc(-c2cc(Br)ccn2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 10/20 0.40
KDM4E B2RXH2 8/20 0.40
POLB P06746 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2A6 P11509 1/20 0.39
LDHA P00338 1/20 0.36

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
SCHEMBL9021687 0.75 CYP2E1 (0.44) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL624039 0.75 PIK3CA (0.55) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL12571323 0.73 CYP3A4 (0.57) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL28603182 0.72 NPC1 (0.41) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL823936 0.71 ALDH1A1 (0.46) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL1108276 0.71 CYP2E1 (0.43) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL14395269 0.70 CYP2E1 (0.49) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL14324626 0.70 ALDH1A1 (0.60) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL833371 0.70 KDM4E (0.48) CYP2C19ALDH1A1KDM4EPOLBLMNA
SCHEMBL6656195 0.70 ALDH1A1 (0.61) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6

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 9 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-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
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 CYP2E1 1362/4885CYP3A4 69/4885CYP2D6 480/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS CYP2E1 777/4885CYP3A4 86/4885CYP2D6 677/4885
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT CYP2E1 1362/4885CYP3A4 69/4885CYP2D6 480/4885

“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.