SCHEMBL5767752

SCHEMBL5767752

Fc1cccc(-c2csc(-c3n[nH]c4ccccc34)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
MAP2K4 P45985 3/20 0.47
GAA P10253 2/20 0.47
TTK P33981 2/20 0.47
IDO1 P14902 2/20 0.47
ALPL P05186 1/20 0.47
HPGD P15428 1/20 0.47
MAPK10 P53779 1/20 0.47
AURKA O14965 1/20 0.46
MAPK1 P28482 1/20 0.45
MAPKAPK3 Q16644 1/20 0.45
MAPK6 Q16659 1/20 0.45
CYP1A1 P04798 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP1B1 Q16678 2/20 0.45
FADS1 O60427 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
SCHEMBL5772080 0.86 KDM4E (0.60) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL5873078 0.85 RAB9A (0.55) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL5873071 0.85 MAPT (0.50) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL5873083 0.82 NPC1 (0.50) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL5772763 0.82 CYP19A1 (0.57) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL5769985 0.82 MAP2K4 (0.71) KDM4EALDH1A1MEN1KMT2AMAP2K4
SCHEMBL2860957 0.81 AURKA (0.66) KDM4EALDH1A1MAP2K4GAATTK
SCHEMBL5776582 0.81 IDO1 (0.67) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL5768166 0.79 IDO1 (0.66) KDM4EALDH1A1IDO1NPC1RAB9A
SCHEMBL5771544 0.79 CYP19A1 (0.51) KDM4EALDH1A1MEN1MAPTKMT2A

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 KDM4E 2869/4885ALDH1A1 2272/4885MEN1 3349/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KDM4E 2869/4885ALDH1A1 2272/4885MEN1 3349/4885

“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.