Sugi Predict

Sugi Predict / Compounds / SCHEMBL2902371

SCHEMBL2902371

SCHEMBL2902371

CCc1c(C)nc2c(O)cccn2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ GLA P06280 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MPI P34949 1/20 0.51
▸ ADRA2A P08913 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ CASR P41180 2/20 0.46
▸ KDM5B Q9UGL1 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM5A P29375 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 2/20 0.39

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
Hydrochloric Acid SCHEMBL11357932 0.99 KDM4E (0.54) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL7886328 0.89 ADRA2A (0.53) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL2899691 0.87 MAPT (0.55) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL900644 0.86 ADRA2A (0.53) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL900661 0.86 ADRA2A (0.55) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL11364090 0.85 SMN1; SMN2 (0.52) KDM4EALDH1A1LMNAGAAADRA2A
Hydrochloric Acid SCHEMBL900773 0.85 ADRA2A (0.52) KDM4EALDH1A1LMNAGLAGAA
Hydrochloric Acid SCHEMBL3422321 0.85 ADRA2A (0.54) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL11353783 0.83 ENPP2 (0.52) KDM4EALDH1A1LMNAGLAGAA
Bromide SCHEMBL7147879 0.83 ADRA2A (0.51) KDM4EALDH1A1LMNAGLAGAA

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 10 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
US-4291036-A Pyrido[1,2-A]pyrimidine derivatives and method of analgesic treatment CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1981-09-22 — — US disclosed
US-4219649-A ANALGESICS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1980-08-26 — — US 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 2904/4885LMNA 4217/4885

“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.