SCHEMBL5873083

SCHEMBL5873083

c1ccc2cc(-c3csc(-c4n[nH]c5ccccc45)n3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 7/20 0.50
RAB9A P51151 7/20 0.50
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
AR P10275 3/20 0.50
NFKB1 P19838 1/20 0.50
GFER P55789 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
CDC25A P30304 1/20 0.49
CDC25B P30305 1/20 0.49
CDC25C P30307 1/20 0.49
DUSP3 P51452 1/20 0.49
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
GAA P10253 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46

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
SCHEMBL5772080 0.85 KDM4E (0.60) NPC1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL5776582 0.85 IDO1 (0.67) NPC1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL5873078 0.85 RAB9A (0.55) NPC1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL5777148 0.83 KDM4E (0.63) NPC1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL5771544 0.83 CYP19A1 (0.51) NPC1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL5873071 0.82 MAPT (0.50) NPC1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL5767752 0.82 KDM4E (0.51) NPC1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL5767848 0.82 CYP19A1 (0.54) NPC1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL5772763 0.82 CYP19A1 (0.57) NPC1SMN1; SMN2RAB9AMAPTKDM4E
SCHEMBL13927625 0.82 IDO1 (0.63) NPC1RAB9AKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 US 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 (2 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B NPC1 3508/4885SMN1; SMN2 4219/4885RAB9A 3514/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B NPC1 3508/4885SMN1; SMN2 4219/4885RAB9A 3514/4885

“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.