SCHEMBL13315780

SCHEMBL13315780

O=c1cc(-n2cc(-c3ccccc3)nn2)c2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.49
▸ PRKDC P78527 5/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LDHA P00338 1/20 0.46
▸ ABCB1 P08183 2/20 0.43
▸ ABCG2 Q9UNQ0 2/20 0.43
▸ NQO1 P15559 1/20 0.42
▸ CA12 O43570 5/20 0.41
▸ CA9 Q16790 5/20 0.41
▸ CA1 P00915 4/20 0.41
▸ CA2 P00918 4/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ MIF P14174 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GABRP O00591 1/20 0.39

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
SCHEMBL13315808 0.90 TNKS (0.44) BCHEPRKDCALDH1A1CA12CA9
SCHEMBL13315812 0.88 GABRP (0.46) BCHEPRKDCALDH1A1LDHANQO1
SCHEMBL13315810 0.87 ALDH1A1 (0.50) ALDH1A1ABCG2CA12CA9CA1
SCHEMBL13315811 0.83 PRKDC (0.43) BCHEPRKDCALDH1A1NQO1CA12
SCHEMBL3550958 0.76 SRC (0.52) BCHEALDH1A1LDHAABCB1ABCG2
SCHEMBL30425242 0.72 PGR (0.56) BCHEALDH1A1CA12CA9CA1
SCHEMBL30426096 0.72 PGR (0.52) LDHACA12CA9CA1CA2
SCHEMBL1694971 0.70 LDHA (0.53) BCHELDHAABCB1ABCG2CA12
SCHEMBL30987381 0.70 BCHE (0.62) BCHEALDH1A1LDHAABCB1ABCG2
SCHEMBL13315790 0.69 MIF (0.54) BCHEALDH1A1ABCB1ABCG2PTGS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 — — US disclosed
US-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 — — US disclosed
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 — — US disclosed
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 — — 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-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use KIT, HLCS, ALK BCHE 1243/4885PRKDC 515/4885ALDH1A1 1386/4885

“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.

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