SCHEMBL13315812

SCHEMBL13315812

O=c1cc(-n2cc(-c3cccc(F)c3)nn2)c2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 3/20 0.46
▸ GABRD O14764 3/20 0.46
▸ GABRA1 P14867 3/20 0.46
▸ GABRB1 P18505 3/20 0.46
▸ GABRG2 P18507 3/20 0.46
▸ GABRB3 P28472 3/20 0.46
▸ GABRA5 P31644 3/20 0.46
▸ GABRA3 P34903 3/20 0.46
▸ GABRA2 P47869 3/20 0.46
▸ GABRB2 P47870 3/20 0.46
▸ GABRA4 P48169 3/20 0.46
▸ GABRE P78334 3/20 0.46
▸ GABRA6 Q16445 3/20 0.46
▸ GABRG1 Q8N1C3 3/20 0.46
▸ GABRG3 Q99928 3/20 0.46
▸ GABRQ Q9UN88 3/20 0.46
▸ CA12 O43570 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ PRKDC P78527 2/20 0.41
▸ ALDH1A1 P00352 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 0.88 BCHE (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13315808 0.81 TNKS (0.44) CA12CA9PRKDCALDH1A1BCHE
SCHEMBL13315810 0.79 ALDH1A1 (0.50) CA12CA9ALDH1A1MAOBCA1
SCHEMBL30987379 0.77 NOTUM (0.50) CA12CA9ALDH1A1LDHASTS
SCHEMBL13315811 0.77 PRKDC (0.43) CA12CA9PRKDCALDH1A1BCHE
SCHEMBL28653154 0.72 BCHE (0.48) CA12CA9LDHACHRNB2CHRNB4
SCHEMBL3593842 0.67 CHRNB2 (0.49) CA12CA9CHRNB2CHRNB4CHRNA3
SCHEMBL2004669 0.67 IDO1 (0.50) CA12CA9MAOB
SCHEMBL18031108 0.66 HSD17B1 (0.76) CA12CA9STSKEAP1NFE2L2
SCHEMBL3550958 0.66 SRC (0.52) CA12CA9ALDH1A1LDHABCHE

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 GABRP 2822/4885GABRD 2312/4885GABRA1 1693/4885

“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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