SCHEMBL17317364

SCHEMBL17317364

O=C(O)[C@@H]1c2ccccc2C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.67
STING1 Q86WV6 15/20 0.63
ALDH1A1 P00352 1/20 0.59
RAB9A P51151 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL17317367 1.00 MDM2 (0.67) MDM2STING1ALDH1A1RAB9AHSD17B10
SCHEMBL2098416 1.00 MDM2 (0.67) MDM2STING1ALDH1A1RAB9AHSD17B10
SCHEMBL29921322 1.00 MDM2 (0.67) MDM2STING1ALDH1A1RAB9AHSD17B10
SCHEMBL17317320 0.88 STING1 (0.63) MDM2STING1
SCHEMBL2614589 0.88 STING1 (0.63) MDM2STING1
SCHEMBL17317318 0.88 STING1 (0.63) MDM2STING1
SCHEMBL17317149 0.87 STING1 (0.63) STING1
SCHEMBL17317152 0.87 STING1 (0.63) STING1
SCHEMBL17317150 0.87 STING1 (0.63) STING1
SCHEMBL14813748 0.86 STING1 (0.61) STING1

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 MDM2 255/4885STING1 1151/4885ALDH1A1 2256/4885

“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.