SCHEMBL7808790

SCHEMBL7808790

SCc1nc2cc(Oc3ccccc3)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 12/20 0.56
GRIN2B Q13224 12/20 0.56
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
PSMD14 O00487 1/20 0.46
MMP2 P08253 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
FLT3 P36888 1/20 0.41

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
SCHEMBL7808795 0.88 GRIN1 (0.62) GRIN1GRIN2BNPC1TP53RAB9A
SCHEMBL7808653 0.85 GRIN1 (0.56) GRIN1GRIN2BNPC1TP53RAB9A
SCHEMBL7806900 0.85 GRIN1 (0.56) GRIN1GRIN2BNPC1TP53RAB9A
SCHEMBL7807068 0.85 GRIN1 (0.56) GRIN1GRIN2BNPC1TP53RAB9A
Hydrochloric Acid SCHEMBL8474413 0.84 GRIN1 (0.55) GRIN1GRIN2BNPC1TP53RAB9A
SCHEMBL7813702 0.83 GRIN1 (0.53) GRIN1GRIN2BNPC1TP53RAB9A
SCHEMBL7808614 0.82 GRIN1 (0.52) GRIN1GRIN2BNPC1TP53RAB9A
SCHEMBL7806889 0.82 GRIN1 (0.52) GRIN1GRIN2BNPC1TP53RAB9A
SCHEMBL11746881 0.82 GRIN1 (0.52) GRIN1GRIN2BNPC1TP53RAB9A
Hydrochloric Acid SCHEMBL8479280 0.81 GRIN1 (0.51) GRIN1GRIN2BNPC1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353606-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-11-18 US disclosed
EP-3818045-A1 PQSR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-05-12 EP disclosed
WO-2020007938-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-01-09 WO disclosed
WO-2020007938-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-01-09 WO disclosed
EP-0820990-B1 Benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR (FR) 2001-01-17 EP disclosed
US-5972968-A INTERLEUKIN INHIBITOR ADIR ET COMPAGNIE (FR) 1999-10-26 US disclosed
EP-0820990-A2 Novel benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR ET COMPAGNIE (FR) 1998-01-28 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-20210353606-A1 PqsR INVERSE AGONISTS QRFPR, P2RY11, QARS1 GRIN1 1447/4885GRIN2B 1208/4885NPC1 4357/4885

“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.