Sugi Predict

Sugi Predict / Compounds / SCHEMBL394659

SCHEMBL394659

SCHEMBL394659

O=Cc1ccc(-c2ccc(-c3ccc(C=O)o3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2E1 P05181 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2B6 P20813 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KDM4E B2RXH2 7/20 0.49
▸ ALDH1A1 P00352 7/20 0.49
▸ LMNA P02545 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.45
▸ CYP11B1 P15538 1/20 0.42
▸ LDHA P00338 1/20 0.40
▸ LDHB P07195 1/20 0.40
▸ HAO1 Q9UJM8 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ POLB P06746 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL399622 0.88 KDM4E (0.45) CYP3A4CYP2E1CYP2D6CYP2C9CYP2B6
SCHEMBL8974038 0.83 RXFP1 (0.48) CYP3A4CYP2E1CYP2D6CYP2C9CYP2B6
SCHEMBL12177745 0.82 ALDH1A1 (0.69) CYP3A4CYP2E1CYP2D6CYP2C9CYP2B6
SCHEMBL398700 0.80 ALDH1A1 (0.67) CYP3A4CYP2E1CYP2D6CYP2C9CYP2B6
SCHEMBL4343215 0.76 CYP2E1 (0.55) CYP3A4CYP2E1CYP2D6CYP2C9CYP2B6
SCHEMBL30747787 0.76 CYP11B1 (0.56) KDM4EALDH1A1CYP11B1LDHARAB9A
SCHEMBL28682644 0.76 CYP11B1 (0.56) KDM4EALDH1A1CYP11B1LDHARAB9A
SCHEMBL396870 0.74 ALDH1A1 (0.80) CYP3A4CYP2E1CYP2D6CYP2C9CYP2B6
SCHEMBL20339667 0.73 KDM4E (0.60) CYP3A4CYP2E1CYP2D6CYP2C9CYP2B6
SCHEMBL18003068 0.73 KDM4E (0.53) CYP3A4CYP2E1CYP2D6CYP2C9CYP2B6

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 17 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-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-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-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
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
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 CYP3A4 69/4885CYP2E1 1362/4885CYP2D6 480/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS CYP3A4 86/4885CYP2E1 777/4885CYP2D6 677/4885
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT CYP3A4 69/4885CYP2E1 1362/4885CYP2D6 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.