SCHEMBL5778728

SCHEMBL5778728

CCN(CC)c1ccc(-c2csc(-c3n[nH]c4ccccc34)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 5/20 0.45
MAPT P10636 5/20 0.45
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.40
IDO1 P14902 2/20 0.40
ALPL P05186 1/20 0.40
TTK P33981 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 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
SCHEMBL5777148 0.83 KDM4E (0.63) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL5772080 0.83 KDM4E (0.60) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL5771544 0.81 CYP19A1 (0.51) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL5767848 0.80 CYP19A1 (0.54) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL5772284 0.78 KDM4E (0.46) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL5770757 0.78 CDC25A (0.49) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL5873083 0.77 NPC1 (0.50) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL5769397 0.77 MAP2K4 (0.67) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL5773440 0.76 MAPK1 (0.53) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL5776582 0.75 IDO1 (0.67) MEN1KMT2ANPC1SMN1; SMN2RAB9A

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 MEN1 3349/4885KMT2A 3223/4885NPC1 3508/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B MEN1 3349/4885KMT2A 3223/4885NPC1 3508/4885

“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.