SCHEMBL2906562

SCHEMBL2906562

CCCc1cc(=O)n2cccc(OC)c2n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
TSHR P16473 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
TP53 P04637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BCAT2 O15382 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL11805447 0.82 PKM (0.56) RXFP1TSHRKDM4EALDH1A1HSD17B10
SCHEMBL2906516 0.81 KDM4E (0.61) RXFP1TSHRKDM4EALDH1A1MEN1
SCHEMBL2149880 0.77 LMNA (0.42) RXFP1KDM4EALDH1A1MAPTLMNA
SCHEMBL2149452 0.77 GLA (0.49) RXFP1TSHRKDM4EALDH1A1MEN1
SCHEMBL14685214 0.76 CYP1A2 (0.43) MEN1KMT2A
SCHEMBL3676964 0.73 ALDH1A1 (0.58) RXFP1TSHRKDM4EALDH1A1HSD17B10
SCHEMBL2905401 0.73 PKM (0.53) RXFP1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL2905604 0.72 KDM4E (0.57) RXFP1TSHRKDM4EALDH1A1MEN1
SCHEMBL23473925 0.71 METTL3 (0.49) TSHRKDM4EALDH1A1HSD17B10LMNA
SCHEMBL13833755 0.70 PKM (0.58) RXFP1KDM4EALDH1A1MAPTLMNA

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 RXFP1 29/4885TSHR 650/4885KDM4E 497/4885

“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.