SCHEMBL5873078

SCHEMBL5873078

Fc1ccc(-c2csc(-c3n[nH]c4ccccc34)n2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 2/20 0.55
NPC1 O15118 5/20 0.51
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
TRPA1 O75762 1/20 0.44
IDO1 P14902 2/20 0.43
HPGD P15428 2/20 0.43
ALPL P05186 1/20 0.43
TTK P33981 1/20 0.43
MAPK10 P53779 1/20 0.43
LMNA P02545 1/20 0.42
EIF4E P06730 1/20 0.41
AR P10275 1/20 0.41
AURKA O14965 1/20 0.40

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
SCHEMBL5767752 0.85 KDM4E (0.51) RAB9AKDM4EALDH1A1MAPK1NPC1
SCHEMBL5873083 0.85 NPC1 (0.50) RAB9AKDM4EALDH1A1NPC1MEN1
SCHEMBL5771544 0.84 CYP19A1 (0.51) RAB9AKDM4EALDH1A1MAPK1NPC1
SCHEMBL5772080 0.83 KDM4E (0.60) RAB9AKDM4EALDH1A1MAPK1NPC1
SCHEMBL5776582 0.83 IDO1 (0.67) RAB9AKDM4EALDH1A1NPC1MEN1
SCHEMBL5772084 0.81 RAB9A (0.49) RAB9AKDM4EALDH1A1NPC1MEN1
SCHEMBL5777148 0.81 KDM4E (0.63) RAB9AKDM4EALDH1A1MAPK1NPC1
SCHEMBL5873071 0.81 MAPT (0.50) RAB9AKDM4EALDH1A1MAPK1NPC1
SCHEMBL5767848 0.78 CYP19A1 (0.54) RAB9AKDM4EALDH1A1MAPK1NPC1
SCHEMBL5770757 0.78 CDC25A (0.49) RAB9AKDM4EALDH1A1MAPK1NPC1

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 RAB9A 3514/4885KDM4E 2869/4885ALDH1A1 2272/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B RAB9A 3514/4885KDM4E 2869/4885ALDH1A1 2272/4885

“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.