SCHEMBL24027323

SCHEMBL24027323

CC(C)c1ccc2[nH]c(CNC(C)(C)C)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.39
▸ ACHE P22303 1/20 0.37
▸ KDM4E B2RXH2 6/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ ALPL P05186 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL20644584 0.81 MAPT (0.38) KDM4EALDH1A1GAAHSD17B10MAPK1
SCHEMBL13950568 0.80 TDP1 (0.44) PKMKDM4EALDH1A1HPGDGAA
SCHEMBL10299138 0.79 DDAH1 (0.54) KDM4EGAAMAPK1ALPLSCN10A
SCHEMBL13950525 0.78 KLK1 (0.47) PKMKDM4EALDH1A1HSD17B10MEN1
SCHEMBL24027318 0.78 SMN1; SMN2 (0.36) KDM4EALDH1A1HPGDGAASCN10A
SCHEMBL20644535 0.77 CACNA1H (0.40) KDM4EALDH1A1GAAHSD17B10MAPK1
SCHEMBL8260645 0.76 PKM (0.66) PKMKDM4EALDH1A1GAAHSD17B10
SCHEMBL14082709 0.75 KMT2A (0.58) PKMKDM4EALDH1A1HPGDGAA
SCHEMBL5988285 0.73 SMN1; SMN2 (0.43) KDM4EALDH1A1HPGDHSD17B10SCN10A
SCHEMBL18995939 0.72 PKM (0.42) PKMKDM4EALDH1A1HPGDGAA

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 1 patent. 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

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 PKM 2783/4885ACHE 2369/4885KDM4E 3629/4885

“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.

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