SCHEMBL2905445

SCHEMBL2905445

CCc1cc(=O)n2cccc(O)c2n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 3/20 0.64
GAA P10253 3/20 0.64
LMNA P02545 2/20 0.64
GLA P06280 1/20 0.64
MPI P34949 1/20 0.64
PKM P14618 1/20 0.43
MAT2A P31153 1/20 0.42
POLB P06746 4/20 0.40
RXFP1 Q9HBX9 2/20 0.39
HPGD P15428 2/20 0.39
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL2906516 0.88 KDM4E (0.61) KDM4EALDH1A1GAALMNAGLA
SCHEMBL17802261 0.86 ALDH1A1 (0.61) KDM4EALDH1A1GAALMNAGLA
SCHEMBL19361114 0.86 LMNA (0.58) KDM4EALDH1A1GAALMNAGLA
SCHEMBL3676964 0.86 ALDH1A1 (0.58) KDM4EALDH1A1GAALMNAGLA
SCHEMBL17808869 0.85 KDM4E (0.57) KDM4EALDH1A1GAALMNAGLA
SCHEMBL17802270 0.85 LMNA (0.57) KDM4EALDH1A1GAALMNAGLA
SCHEMBL2905604 0.85 KDM4E (0.57) KDM4EALDH1A1GAALMNAGLA
SCHEMBL2901489 0.84 KDM4E (0.59) KDM4EALDH1A1GAALMNAGLA
SCHEMBL17808863 0.84 KDM4E (0.59) KDM4EALDH1A1GAALMNAGLA
SCHEMBL13833755 0.83 PKM (0.58) KDM4EALDH1A1GAALMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507674-B2 Quorum sensing inhibitor THE UNIVERSITY OF TOKYO (JP) 2013-08-13 US disclosed
US-8507674-B2 Quorum sensing inhibitor THE UNIVERSITY OF TOKYO (JP) 2013-08-13 US disclosed
US-8507674-B2 Quorum sensing inhibitor THE UNIVERSITY OF TOKYO (JP) 2013-08-13 US disclosed
US-20100256369-A1 QUORUM SENSING INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2010-10-07 US disclosed
US-20100256369-A1 QUORUM SENSING INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2010-10-07 US disclosed
US-20100256369-A1 QUORUM SENSING INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2010-10-07 US disclosed
EP-2215910-A1 QUORUM SENSING INHIBITOR The University of Tokyo (JP) 2010-08-11 EP disclosed
EP-2215910-A1 QUORUM SENSING INHIBITOR The University of Tokyo (JP) 2010-08-11 EP 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-20100256369-A1 QUORUM SENSING INHIBITOR BLVRB, API5, Q6ZSR9 KDM4E 497/4885ALDH1A1 2904/4885GAA 4383/4885

“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.