SCHEMBL14299727

SCHEMBL14299727

C1CCN(c2nc3sc4c(N5CCNCC5)nnnc4c3c3c2CCCC3)CC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 1/20 0.82
▸ NPSR1 Q6W5P4 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ LMNA P02545 4/20 0.48
▸ HTT P42858 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ALDH1A1 P00352 8/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ POLB P06746 2/20 0.47
▸ GAA P10253 3/20 0.47
▸ MAPT P10636 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ RCE1 Q9Y256 1/20 0.45
▸ HTR2C P28335 1/20 0.44

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
SCHEMBL19805113 0.96 GUSB (0.87) GUSBNPSR1KMT2ATSHRLMNA
SCHEMBL15125098 0.90 GUSB (1.00) GUSBNPSR1KMT2ATSHRLMNA
SCHEMBL19805115 0.90 GUSB (0.94) GUSBNPSR1KMT2ATSHRLMNA
SCHEMBL20467120 0.86 GUSB (0.82) GUSBNPSR1KMT2ATSHRLMNA
SCHEMBL19805175 0.84 GUSB (0.69) GUSBNPSR1KMT2ATSHRLMNA
SCHEMBL19805179 0.84 GUSB (0.69) GUSBNPSR1KMT2ATSHRLMNA
SCHEMBL20467122 0.82 GUSB (0.87) GUSBNPSR1KMT2ATSHRLMNA
SCHEMBL19805183 0.81 GUSB (0.62) GUSBNPSR1KMT2ATSHRLMNA
SCHEMBL19805114 0.78 GUSB (0.77) GUSBNPSR1KMT2ATSHRLMNA
SCHEMBL19805087 0.78 GUSB (0.77) GUSBNPSR1KMT2ATSHRLMNA

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 9 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
US-9334288-B2 Selective β-glucuronidase inhibitors as a treatment for side effects of camptothecin antineoplastic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2016-05-10 — — US disclosed
US-20150051205-A1 SELECTIVE BETA-GLUCURONIDASE INHIBITORS AS A TREATMENT FOR SIDE EFFECTS OF CAMPTOTHECIN ANTINEOPLASTIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-02-19 — — US disclosed
US-20150011542-A1 Methods of Treating Adverse Intestinal Effects of Non-Steroidal Anti-Inflammatory Drugs UNIVERSITY OF CONNECTICUT 2015-01-08 — — US disclosed
US-8557808-B2 Selective beta-glucuronidase inhibitors as a treatment for side effects of camptothecin antineoplastic agents NORTH CAROLINA CENTRAL UNIVERSITY (US) 2013-10-15 — — US disclosed
US-20120322797-A1 SELECTIVE BETA-GLUCURONIDASE INHIBITORS AS A TREATMENT FOR SIDE EFFECTS OF CAMPTOTHECIN ANTINEOPLASTIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-12-20 — — 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 (5 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 1/4885NPSR1 3836/4885KMT2A 4235/4885
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF GUSB, ENGASE, MGAM GUSB 1/4885NPSR1 3836/4885KMT2A 4235/4885
US-20150051205-A1 SELECTIVE BETA-GLUCURONIDASE INHIBITORS AS A TREATMENT FOR SIDE EFFECTS OF CAMPTOTHECIN ANTINEOPLASTIC AGENTS GUSB, SI, UNG GUSB 1/4885NPSR1 4746/4885KMT2A 3975/4885
US-20120322797-A1 SELECTIVE BETA-GLUCURONIDASE INHIBITORS AS A TREATMENT FOR SIDE EFFECTS OF CAMPTOTHECIN ANTINEOPLASTIC AGENTS GUSB, UNG, SI GUSB 1/4885NPSR1 4795/4885KMT2A 3943/4885
US-20150011542-A1 Methods of Treating Adverse Intestinal Effects of Non-Steroidal Anti-Inflammatory Drugs SI, FABP2, ALPI GUSB 8/4885NPSR1 2367/4885KMT2A 4605/4885

“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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