SCHEMBL17317320

SCHEMBL17317320

O=C(O)C1c2ccccc2C(=O)N(c2ccccc2)C1c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 13/20 0.63
FFAR1 O14842 1/20 0.54
HTT P42858 1/20 0.54
MDM2 Q00987 3/20 0.53

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
SCHEMBL17317318 1.00 STING1 (0.63) STING1FFAR1HTTMDM2
SCHEMBL2614589 1.00 STING1 (0.63) STING1FFAR1HTTMDM2
SCHEMBL14813748 0.92 STING1 (0.61) STING1FFAR1HTT
SCHEMBL14813746 0.92 STING1 (0.61) STING1FFAR1HTT
SCHEMBL14813745 0.92 STING1 (0.61) STING1FFAR1HTT
SCHEMBL2098416 0.88 MDM2 (0.67) STING1MDM2
SCHEMBL17317149 0.88 STING1 (0.63) STING1FFAR1
SCHEMBL17317152 0.88 STING1 (0.63) STING1FFAR1
SCHEMBL29921322 0.88 MDM2 (0.67) STING1MDM2
SCHEMBL17317364 0.88 MDM2 (0.67) STING1MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975853-B2 Tetrahydroisoquinolinone derivatives and their use in the inhibition of the HSP70 protein JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2018-05-22 US disclosed
EP-3152193-B1 TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE INHIBITION OF THE HSP70 PROTEIN HOLZGRABE ULRIKE (DE) 2018-03-28 EP disclosed
US-20170152229-A1 TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE INHIBITION OF THE HSP70 PROTEIN JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2017-06-01 US disclosed
EP-3152193-A1 TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE INHIBITION OF THE HSP70 PROTEIN Julius-Maximilians-Universität Würzburg (DE) 2017-04-12 EP disclosed
WO-2015185114-A1 TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE INHIBITION OF THE HSP70 PROTEIN JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2015-12-10 WO 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-20170152229-A1 TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE INHIBITION OF THE HSP70 PROTEIN HSPH1, HSP90AB1, HSP90AB2P STING1 1151/4885FFAR1 3758/4885HTT 121/4885

“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.