SCHEMBL398890

SCHEMBL398890

N#Cc1ccc(Cc2ccc(-c3ccc(C#N)cc3)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.58
CYP11B2 P19099 7/20 0.53
KDM1A O60341 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH3 Q9Y5N1 1/20 0.45
MLNR O43193 1/20 0.44
CYP3A4 P08684 1/20 0.43
LOXL2 Q9Y4K0 2/20 0.43
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2A6 P11509 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
SCHEMBL8378028 0.85 CYP2A6 (0.58) CYP11B1CYP11B2KDM1AKDM4EALDH1A1
SCHEMBL2304494 0.82 SMN1; SMN2 (0.58) CYP11B1KDM1AKDM4EALDH1A1HPGD
SCHEMBL9021143 0.81 KDM1A (0.58) CYP11B1CYP11B2KDM1AKDM4EALDH1A1
SCHEMBL13986853 0.81 KDM4E (0.59) CYP11B1CYP11B2KDM1AKDM4EALDH1A1
SCHEMBL9637460 0.81 CYP11B1 (0.53) CYP11B1KDM1AKDM4EALDH1A1HPGD
SCHEMBL8377287 0.80 RAB9A (0.67) CYP11B1KDM1AKDM4EALDH1A1HPGD
SCHEMBL10555916 0.80 SMN1; SMN2 (0.56) CYP11B1KDM1AKDM4EALDH1A1HPGD
SCHEMBL10556013 0.80 CYP2A6 (0.56) CYP11B1KDM1AKDM4EALDH1A1HPGD
SCHEMBL9022425 0.80 KDM4E (0.58) CYP11B1CYP11B2KDM1AKDM4EALDH1A1
SCHEMBL9021665 0.79 KDM4E (0.61) CYP11B1CYP11B2KDM1AKDM4EALDH1A1

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-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 CYP11B1 3003/4885CYP11B2 2922/4885KDM1A 811/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS CYP11B1 1588/4885CYP11B2 1478/4885KDM1A 1454/4885
US-20060293328-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT CYP11B1 3003/4885CYP11B2 2922/4885KDM1A 811/4885

“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.