SCHEMBL13315804

SCHEMBL13315804

CCCCCc1ccc(-c2cn(-c3cc4cc5c6c(c4oc3=O)CCCN6CCC5)nn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.44
▸ USP2 O75604 4/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ BRCA1 P38398 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ HBB P68871 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 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
SCHEMBL13348929 0.85 SLC16A3 (0.49) SLC16A3USP2CASP1BRCA1CASP7
SCHEMBL13315803 0.85 SLC16A3 (0.53) SLC16A3USP2CASP1BRCA1CASP7
SCHEMBL13315806 0.79 USP2 (0.47) SLC16A3USP2CASP1BRCA1CASP7
SCHEMBL13315783 0.75 MEN1 (0.49) MEN1KMT2ACA12CA1CA2
SCHEMBL13315809 0.74 HDAC3 (0.45) SLC16A3USP2CASP1BRCA1CASP7
SCHEMBL13315805 0.73 CA12 (0.47) USP2MEN1KMT2ACA12CA1
SCHEMBL13315792 0.73 CA12 (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL13315798 0.71 CA12 (0.45) SLC16A3USP2CASP1BRCA1CASP7
SCHEMBL14325926 0.70 SLC16A3 (0.62) SLC16A3USP2CASP1BRCA1CASP7
SCHEMBL13486915 0.69 SLC16A3 (0.60) SLC16A3USP2CASP1BRCA1CASP7

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 SLC16A3 2175/4885USP2 1798/4885CASP1 1844/4885

“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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