SCHEMBL13315785

SCHEMBL13315785

O=c1oc2ccccc2cc1-n1cc(-c2cccc3ccccc23)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.44
▸ MAPT P10636 7/20 0.44
▸ ALDH1A1 P00352 7/20 0.44
▸ NPC1 O15118 6/20 0.44
▸ PKM P14618 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ APP P05067 3/20 0.43
▸ MAOB P27338 3/20 0.43
▸ MAOA P21397 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ KDM4E B2RXH2 6/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ TSHR P16473 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ SRC P12931 1/20 0.39
▸ PIK3CA P42336 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
SCHEMBL3550958 0.83 SRC (0.52) RAB9AMAPTALDH1A1NPC1PKM
SCHEMBL13315784 0.79 KDM4E (0.47) RAB9AMAPTALDH1A1NPC1PKM
SCHEMBL3270459 0.78 NOTUM (0.57) MAPTALDH1A1NPC1CA12CA1
SCHEMBL13315786 0.76 P2RY14 (0.47) APPCA12CA9SRC
SCHEMBL11499674 0.75 ALDH1A1 (0.57) RAB9AMAPTALDH1A1NPC1PKM
SCHEMBL13315793 0.75 TDP1 (0.47) RAB9AMAPTALDH1A1NPC1GPR35
SCHEMBL13315783 0.72 MEN1 (0.49) RAB9ANPC1APPMAOBMAOA
SCHEMBL31156822 0.72 MAOB (0.73) RAB9AMAPTALDH1A1NPC1PKM
SCHEMBL31156818 0.72 MAOB (0.73) RAB9AMAPTALDH1A1NPC1PKM
SCHEMBL13315811 0.71 PRKDC (0.43) ALDH1A1MAOBCA12CA1CA9

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 RAB9A 2232/4885MAPT 4747/4885ALDH1A1 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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