SCHEMBL13315783

SCHEMBL13315783

CCCCCc1ccc(-c2cn(-c3cc4ccccc4oc3=O)nn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ CA12 O43570 2/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ S1PR1 P21453 4/20 0.44
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ SPNS2 Q8IVW8 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ APP P05067 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ TOP2A P11388 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
SCHEMBL13315805 0.87 CA12 (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL13315792 0.87 CA12 (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL13315798 0.85 CA12 (0.45) MEN1KMT2ACA12CA1CA2
SCHEMBL13315784 0.83 KDM4E (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL3550958 0.83 SRC (0.52) CA12CA1CA2CA9NPC1
SCHEMBL13315786 0.78 P2RY14 (0.47) CA12CA9SRCAPP
SCHEMBL1819968 0.76 MAOB (0.60) NPC1RAB9AL3MBTL1MAOAMAOB
SCHEMBL13315799 0.73 MAPT (0.58) MEN1KMT2ANPC1RAB9AATM
SCHEMBL3550061 0.73 MAPT (0.60) MEN1KMT2ANPC1RAB9AATM
SCHEMBL12527306 0.72 MAPT (0.45) MEN1KMT2ANPC1RAB9AATM

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 2 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-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 MEN1 418/4885KMT2A 1042/4885CA12 283/4885

“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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