SCHEMBL5776582

SCHEMBL5776582

Clc1ccc(-c2csc(-c3n[nH]c4ccccc34)n2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.67
EIF4E P06730 13/20 0.48
KDM4E B2RXH2 4/20 0.48
MEN1 O00255 4/20 0.48
NPC1 O15118 4/20 0.48
KMT2A Q03164 4/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 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

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
SCHEMBL5771544 0.86 CYP19A1 (0.51) IDO1KDM4EMEN1NPC1KMT2A
SCHEMBL5873083 0.85 NPC1 (0.50) IDO1KDM4EMEN1NPC1KMT2A
SCHEMBL5772080 0.83 KDM4E (0.60) IDO1KDM4EMEN1NPC1KMT2A
SCHEMBL5873078 0.83 RAB9A (0.55) IDO1EIF4EKDM4EMEN1NPC1
SCHEMBL5777148 0.81 KDM4E (0.63) IDO1KDM4EMEN1NPC1KMT2A
SCHEMBL5873071 0.81 MAPT (0.50) IDO1EIF4EKDM4EMEN1NPC1
SCHEMBL5767752 0.81 KDM4E (0.51) IDO1EIF4EKDM4EMEN1NPC1
SCHEMBL5767848 0.78 CYP19A1 (0.54) KDM4EMEN1NPC1KMT2ARAB9A
SCHEMBL5770757 0.78 CDC25A (0.49) IDO1EIF4EKDM4EMEN1NPC1
SCHEMBL5772763 0.78 CYP19A1 (0.57) KDM4EMEN1NPC1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP disclosed
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
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO 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 IDO1 651/4885EIF4E 3360/4885KDM4E 2869/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B IDO1 651/4885EIF4E 3360/4885KDM4E 2869/4885

“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.