SCHEMBL19805165

SCHEMBL19805165

CN(C)c1ccc2c(n1)sc1c(N3CCNCC3)nnnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 1/20 0.44
▸ USP28 Q96RU2 1/20 0.44
▸ USP25 Q9UHP3 1/20 0.44
▸ PRKCI P41743 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HTR2C P28335 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ HPGD P15428 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
SCHEMBL19805099 0.81 PRKCI (0.44) GUSBUSP28USP25PRKCIALDH1A1
SCHEMBL19805169 0.80 PRKCI (0.46) GUSBPRKCIALDH1A1HTR2CKDM4E
SCHEMBL19805166 0.78 GUSB (0.58) GUSBPRKCIALDH1A1HTR2CKDM4E
SCHEMBL19805181 0.76 PRKCI (0.64) GUSBPRKCIHTR2C
SCHEMBL19805179 0.71 GUSB (0.69) GUSBPRKCIALDH1A1HTR2CKDM4E
SCHEMBL19805097 0.70 PRKCI (0.48) PRKCIHTR2CKDM4ETSHRCYP1A2
SCHEMBL19805113 0.66 GUSB (0.87) GUSBPRKCIALDH1A1HTR2CKDM4E
SCHEMBL19805085 0.66 PRKCI (0.46) GUSBUSP28PRKCIALDH1A1HTR2C
SCHEMBL19805175 0.65 GUSB (0.69) GUSBPRKCIALDH1A1HTR2CKDM4E
SCHEMBL14299727 0.64 GUSB (0.82) GUSBPRKCIALDH1A1HTR2CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339178-B2 Inhibitors of microbial beta-glucuronidase enzymes and uses thereof THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-05-24 — — US disclosed
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-10-31 — — US disclosed
WO-2018142365-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-08-09 — — WO disclosed
WO-2018017874-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-01-25 — — 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 (2 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-11339178-B2 Inhibitors of microbial beta-glucuronidase enzymes and uses thereof GUSB, ENGASE, MGAM GUSB 1/4885USP28 627/4885USP25 749/4885
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF GUSB, ENGASE, MGAM GUSB 1/4885USP28 627/4885USP25 749/4885

“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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