Sugi Predict

Sugi Predict / Compounds / SCHEMBL2905604

SCHEMBL2905604

SCHEMBL2905604

CCCCCc1cc(=O)n2cccc(O)c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.57
▸ GAA P10253 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ GLA P06280 1/20 0.57
▸ MPI P34949 1/20 0.57
▸ MAPT P10636 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.38
▸ POLB P06746 3/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GPR84 Q9NQS5 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ STAT6 P42226 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL3676964 0.96 ALDH1A1 (0.58) KDM4EGAAALDH1A1LMNAGLA
SCHEMBL2906516 0.91 KDM4E (0.61) KDM4EGAAALDH1A1LMNAGLA
SCHEMBL2905445 0.85 KDM4E (0.64) KDM4EGAAALDH1A1LMNAGLA
SCHEMBL17808866 0.84 KDM4E (0.54) KDM4EGAAALDH1A1LMNAGLA
SCHEMBL17808873 0.83 KDM4E (0.53) KDM4EGAAALDH1A1LMNAGLA
SCHEMBL19365008 0.83 KDM4E (0.53) KDM4EGAAALDH1A1LMNAGLA
SCHEMBL17808862 0.83 KDM4E (0.55) KDM4EGAAALDH1A1LMNAGLA
SCHEMBL17808876 0.82 KDM4E (0.51) KDM4EGAAALDH1A1LMNAGLA
SCHEMBL17802261 0.80 ALDH1A1 (0.61) KDM4EGAAALDH1A1LMNAGLA
SCHEMBL19361114 0.80 LMNA (0.58) KDM4EGAAALDH1A1LMNAGLA

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-20170267676-A1 4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2017-09-21 — — 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 497/4885GAA 4383/4885ALDH1A1 2904/4885
US-20170267676-A1 4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE COMPOUNDS PSEN2, PSEN1, PNPO KDM4E 2827/4885GAA 639/4885ALDH1A1 299/4885

“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.