SCHEMBL5772084

SCHEMBL5772084

Fc1ccccc1-c1csc(-c2n[nH]c3ccccc23)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
MPL P40238 1/20 0.49
MAP4K1 Q92918 2/20 0.46
PIM1 P11309 2/20 0.45
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
ALPL P05186 1/20 0.43
IDO1 P14902 1/20 0.43
TTK P33981 1/20 0.43
MAPK10 P53779 1/20 0.43

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
SCHEMBL5778957 0.84 SMN1; SMN2 (0.56) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5873042 0.81 CYP19A1 (0.56) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5873078 0.81 RAB9A (0.55) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5772080 0.81 KDM4E (0.60) RAB9ANPC1TDP1MAPTSMN1; SMN2
SCHEMBL5767752 0.79 KDM4E (0.51) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL28177130 0.78 IDO1 (0.58) RAB9ANPC1MAP4K1PIM1ALDH1A1
SCHEMBL5770648 0.78 MEN1 (0.55) RAB9ANPC1TDP1MAPTSMN1; SMN2
SCHEMBL5873123 0.77 LRRK2 (0.64) RAB9APIM1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5771544 0.76 CYP19A1 (0.51) RAB9ANPC1TDP1MAPTSMN1; SMN2
SCHEMBL5777148 0.76 KDM4E (0.63) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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 RAB9A 3514/4885NPC1 3508/4885TDP1 21/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B RAB9A 3514/4885NPC1 3508/4885TDP1 21/4885

“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.