SCHEMBL5872907

SCHEMBL5872907

Cc1cccc2c(-c3nc(C(=O)O)c(-c4ccccc4)s3)n[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.44
MCL1 Q07820 1/20 0.44
MAPK1 P28482 1/20 0.38
MAP2K4 P45985 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 1/20 0.38
KDM4E B2RXH2 4/20 0.38
HCRTR1 O43613 4/20 0.38
HCRTR2 O43614 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
PIN1 Q13526 1/20 0.36
ALOX5 P09917 2/20 0.36
PARP1 P09874 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
COMT P21964 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5747881 0.89 KDM4E (0.45) RPA1MCL1MAP2K4KDM4EALOX5
SCHEMBL5773483 0.89 KDM4E (0.51) MAPK1KDM4EHCRTR1HCRTR2SMN1; SMN2
SCHEMBL5773795 0.83 MAP2K4 (0.53) MAPK1MAP2K4MAPKAPK3MAPK6KDM4E
SCHEMBL5873216 0.81 KDM4E (0.41) MAPK1MAP2K4MAPK6KDM4ESMN1; SMN2
SCHEMBL5872933 0.80 KDM4E (0.41) MAPK1MAP2K4KDM4EHCRTR1HCRTR2
SCHEMBL5872941 0.79 CDC7 (0.44) MAPK1KDM4E
SCHEMBL5773580 0.78 L3MBTL1 (0.50) MAPK1KDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL5873225 0.78 KDM4E (0.49) MAPK1MAP2K4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5775974 0.78 ATAD2 (0.40) KDM4ESMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL5774853 0.78 TRPM8 (0.43) MAPK1KDM4EHCRTR1HCRTR2SMN1; SMN2

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 2 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-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 (1 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 RPA1 80/4885MCL1 1826/4885MAPK1 2837/4885

“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.