SCHEMBL5560010

SCHEMBL5560010

Cn1cc(NC(=O)OC(C)(C)C)cc1-c1nc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
LCK P06239 1/20 0.38
RAB9A P51151 2/20 0.37
CHEK2 O96017 4/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 2/20 0.35
EGFR P00533 1/20 0.35
LEF1 Q9UJU2 1/20 0.35
P2RY14 Q15391 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.35
ACSS2 Q9NR19 1/20 0.35
NR4A2 P43354 1/20 0.34

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
SCHEMBL14879048 0.92 LCK (0.46) MAPTMAPK1LCKRAB9ACHEK2
SCHEMBL5561204 0.91 RHEB (0.41) MAPTMAPK1LCKRAB9AMEN1
SCHEMBL5561415 0.84 LCK (0.39) LCKRAB9ACHEK2KMT2ABRD4
SCHEMBL5561008 0.84 LCK (0.36) MAPTMAPK1LCKCHEK2BRD4
SCHEMBL15233045 0.83 KDM4E (0.47) MAPTMAPK1LCKRAB9ACHEK2
SCHEMBL7467520 0.82 MAPT (0.47) MAPTMAPK1RAB9AMEN1POLB
SCHEMBL6510380 0.81 ACSS2 (0.37) MAPTMAPK1LCKRAB9ABRD4
SCHEMBL6516907 0.79 HPGD (0.43) MAPTMAPK1RAB9ABRD4KDM4E
SCHEMBL6510815 0.79 NPC1 (0.44) LCKRAB9AP2RY14SMN1; SMN2NPC1
SCHEMBL15233051 0.79 ACSS2 (0.35) MAPTMAPK1LCKRAB9ABRD4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524899-B2 Oligopeptide containing fused 6-membered ring forming complexes with double stranded dna; complexes can be used for identification of specific dsDNA sequences, inhibiting gene transcription, therapeutic for inhibiting proliferation of undesired cells or modulation of expression of specific gene CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-09-03 US disclosed
EP-1599474-B1 Heterocyclic oligomeric compounds for DNA recognition CALIFORNIA INST OF TECHN (US) 2013-04-24 EP disclosed
EP-1599474-A4 ALTERNATIVE HETEROCYCLES FOR DNA RECOGNITION CALIFORNIA INST OF TECHN (US) 2007-08-22 EP disclosed
EP-1599474-A2 ALTERNATIVE HETEROCYCLES FOR DNA RECOGNITION CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-11-30 EP disclosed
US-20050026174-A1 Alternative heterocycles for DNA recognition CALIFORNIA INSTITUTE OF TECHNOLOGY 2005-02-03 US disclosed
WO-2004078943-A2 ALTERNATIVE HETEROCYCLES FOR DNA RECOGNITION CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-09-16 WO 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-20050026174-A1 Alternative heterocycles for DNA recognition DDB1, PCNA, DNA2 MAPT 4324/4885MAPK1 3838/4885LCK 3761/4885

“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.