SCHEMBL5873046

SCHEMBL5873046

Cc1cccc2c(-c3nc(C(=O)N4CCC(N5CCCC5)C4)c(-c4cccnc4)s3)n[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
KDM5A P29375 1/20 0.40
SMYD2 Q9NRG4 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 4/20 0.37
PIM1 P11309 4/20 0.37
HSD11B1 P28845 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34

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
SCHEMBL5873211 0.95 CYP2C9 (0.48) CYP2C9KDM5ASMYD2HRH4HRH3
SCHEMBL5872873 0.95 CYP2C9 (0.47) CYP2C9KDM5ASMYD2HRH3PIM1
SCHEMBL5872978 0.91 CYP2C9 (0.42) CYP2C9KDM5ASMYD2HRH4HRH3
SCHEMBL5770048 0.89 PIM1 (0.43) KDM5APIM1
SCHEMBL5873160 0.89 CYP2C9 (0.42) CYP2C9SMYD2PIM1
SCHEMBL5872880 0.88 CYP2C9 (0.43) CYP2C9KDM5APIM1
SCHEMBL5873037 0.88 CYP3A4 (0.38) CYP2C9KDM5AHRH4PIM1HCRTR1
SCHEMBL5768174 0.87 KDM5A (0.39) KDM5AHRH3PIM1
SCHEMBL5772822 0.87 KDM5A (0.39) KDM5AHRH3PIM1
SCHEMBL5872923 0.87 HRH4 (0.45) KDM5AHRH4PIM1

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 CYP2C9 695/4885KDM5A 2543/4885SMYD2 2519/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B CYP2C9 695/4885KDM5A 2543/4885SMYD2 2519/4885

“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.