SCHEMBL13315793

SCHEMBL13315793

O=c1oc2cc(O)ccc2cc1-n1cc(-c2ccccc2F)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MIF P14174 9/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ ESR2 Q92731 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ CA12 O43570 1/20 0.43

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
SCHEMBL13315790 0.85 MIF (0.54) TDP1TP53MIFNPC1ESR2
SCHEMBL13315789 0.79 MIF (0.56) TDP1MAPTMIFNPC1ESR2
SCHEMBL13315785 0.75 RAB9A (0.44) TP53MAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL19491276 0.75 ESRRB (0.47) MAPTMIFNPC1ESR2ALDH1A1
SCHEMBL13315800 0.74 MAPT (0.52) TP53MAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL13315792 0.73 CA12 (0.47) NPC1MEN1GLARAB9AKMT2A
SCHEMBL13315797 0.72 KDM4E (0.51) TDP1MAPTSMN1; SMN2MIFNPC1
SCHEMBL2248079 0.72 BCHE (0.44) MAPTMIFNPC1CA12CA9
SCHEMBL18031099 0.72 MIF (0.58) MIF
SCHEMBL3550958 0.72 SRC (0.52) MAPTSMN1; SMN2MIFNPC1ALDH1A1

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 TDP1 3630/4885TP53 863/4885MAPT 4747/4885

“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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