SCHEMBL4897458

SCHEMBL4897458

COc1ccc(-c2cncc(Cl)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.58
FYN P06241 2/20 0.55
CYP11B2 P19099 3/20 0.50
CYP11B1 P15538 2/20 0.50
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
KDM4E B2RXH2 2/20 0.46
SCN2A Q99250 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
DYRK1A Q13627 1/20 0.44

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
SCHEMBL27451301 0.80 CHEK1 (0.59) CHEK1FYNCYP11B2CYP11B1NPC1
SCHEMBL4901225 0.79 CYP11B2 (0.49) CYP11B2CYP11B1NPC1RAB9AKDM4E
SCHEMBL3125825 0.79 NPC1 (0.49) CHEK1CYP11B2CYP11B1NPC1RAB9A
SCHEMBL2133755 0.79 CYP11B2 (0.51) CYP11B2CYP11B1NPC1RAB9AKDM4E
SCHEMBL1230154 0.78 CYP11B2 (0.52) CYP11B2CYP11B1NPC1RAB9ACASP3
SCHEMBL24369137 0.76 CHEK1 (0.51) CHEK1CYP11B2CYP11B1NPC1RAB9A
SCHEMBL29488899 0.76 CHEK1 (0.51) CHEK1CYP11B2CYP11B1NPC1RAB9A
SCHEMBL1464223 0.76 CYP11B2 (0.57) CYP11B2CYP11B1RAB9AKDM4EMAPK1
SCHEMBL21044502 0.76 CYP11B2 (0.49) FYNCYP11B2CYP11B1NPC1RAB9A
SCHEMBL23110824 0.76 CYP11B2 (0.49) CHEK1CYP11B2CYP11B1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132698-A1 Use of N-oxide compounds in coupling reactions UNIVERSITY OF OTTAWA 2008-06-05 US disclosed
US-20080132698-A1 Use of N-oxide compounds in coupling reactions UNIVERSITY OF OTTAWA 2008-06-05 US disclosed
US-20080132698-A1 Use of N-oxide compounds in coupling reactions UNIVERSITY OF OTTAWA 2008-06-05 US disclosed
WO-1992002513-A1 HETEROCYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO 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 (1 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-20080132698-A1 Use of N-oxide compounds in coupling reactions CYP4X1, CYP4F3, CYP1A2 CHEK1 2901/4885FYN 1377/4885CYP11B2 6/4885

“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.