SCHEMBL2905401

SCHEMBL2905401

CCCc1cc(=O)n2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 4/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
GRM5 P41594 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL3963522 0.91 MAPT (0.56) PKMKDM4EHSD17B10DRD4DRD3
SCHEMBL2901688 0.90 MAPT (0.51) PKMKDM4EHSD17B10DRD4DRD3
SCHEMBL13151057 0.87 PKM (0.56) PKMKDM4EHSD17B10TP53DRD4
SCHEMBL30132372 0.82 PKM (0.57) PKMKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL890385 0.81 PKM (0.56) PKMKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL15575017 0.81 KDM4E (0.51) PKMKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL26853240 0.80 PKM (0.52) PKMKDM4EHSD17B10TP53DRD4
SCHEMBL3964307 0.80 PKM (0.49) PKMKDM4EHSD17B10DRD4DRD3
SCHEMBL21457878 0.78 KDM4E (0.59) PKMKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL19116278 0.77 NPC1 (0.55) PKMKDM4EHSD17B10NPC1ALDH1A1

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 PKM 2691/4885KDM4E 497/4885HSD17B10 1236/4885

“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.