SCHEMBL13315808

SCHEMBL13315808

Cc1ccc(-c2cn(-c3cc(=O)oc4ccccc34)nn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ PARP2 Q9UGN5 1/20 0.44
▸ PRKDC P78527 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 4/20 0.43
▸ PTGS2 P35354 2/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ FLT3 P36888 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL13315780 0.90 BCHE (0.49) TNKSPARP1TNKS2PRKDCALDH1A1
SCHEMBL13315810 0.87 ALDH1A1 (0.50) TNKSMAOBALDH1A1LMNAPTGS2
SCHEMBL13315812 0.81 GABRP (0.46) MAOBPRKDCALDH1A1CA12CA1
SCHEMBL13315811 0.79 PRKDC (0.43) MAOBPRKDCALDH1A1PTGS2CA12
SCHEMBL13315784 0.79 KDM4E (0.47) MAOBALDH1A1LMNAPTGS2PTGS1
SCHEMBL30987390 0.73 MIF (0.55) ALDH1A1PTGS2PTGS1CA12CA1
SCHEMBL28147063 0.72 FLT3 (0.63) ALDH1A1PTGS2PTGS1CA12CA1
SCHEMBL29158504 0.70 BCHE (0.51) PTGS2PTGS1CA12CA1CA2
SCHEMBL28645410 0.69 BCHE (0.51) PTGS2PTGS1CA12CA1CA2
SCHEMBL13315789 0.69 MIF (0.56) MAOBALDH1A1PTGS1NPSR1MIF

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 TNKS 385/4885PARP1 574/4885MAOB 594/4885

“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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