SCHEMBL5873229

SCHEMBL5873229

CCN(CC)CCN1CCN(C(=O)c2nc(-c3n[nH]c4c(C)c(Cl)ccc34)sc2-c2cccnc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.35
DRD3 P35462 8/20 0.35
NAMPT P43490 1/20 0.35
PIM1 P11309 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
TACR3 P29371 1/20 0.32
KDM5A P29375 1/20 0.32

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
SCHEMBL5873054 0.91 PIM1 (0.40) DRD2DRD3PIM1L3MBTL1MEN1
SCHEMBL5770403 0.89 PIM1 (0.42) NAMPTPIM1MEN1ALDH1A1HTT
SCHEMBL5873145 0.87 TACR3 (0.40) L3MBTL1MEN1ALDH1A1KMT2ATACR3
SCHEMBL5872958 0.86 MKNK1 (0.43) PIM1MEN1ALDH1A1HTTKMT2A
SCHEMBL5872913 0.86 DYRK1A (0.40) NAMPTPIM1MEN1ALDH1A1HTT
SCHEMBL5873025 0.85 ALDH1A1 (0.43) NAMPTPIM1MEN1ALDH1A1HTT
SCHEMBL5872792 0.85 TSHR (0.41) PIM1MEN1ALDH1A1HTTKMT2A
SCHEMBL5873133 0.85 TACR3 (0.42) L3MBTL1MEN1ALDH1A1KMT2ATACR3
SCHEMBL5873052 0.85 HCRTR1 (0.34) ALDH1A1HCRTR1HCRTR2KDM5A
SCHEMBL5873165 0.84 SLC6A7 (0.41) NAMPTPIM1MEN1ALDH1A1HTT

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 DRD2 4757/4885DRD3 4601/4885NAMPT 975/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B DRD2 4757/4885DRD3 4601/4885NAMPT 975/4885

“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.