SCHEMBL19805166

SCHEMBL19805166

c1cc2c(nc1N1CCOCC1)sc1c(N3CCNCC3)nnnc12

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 1/20 0.58
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.42
▸ PIK3CA P42336 4/20 0.42
▸ PRKCI P41743 2/20 0.40
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35

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
SCHEMBL19805167 0.85 PIK3CA (0.60) GUSBTSHRKMT2ANPSR1ALDH1A1
SCHEMBL19805182 0.84 HTR2C (0.44) GUSBTSHRKMT2ANPSR1ALDH1A1
SCHEMBL19805163 0.81 TSHR (0.44) GUSBTSHRKMT2ANPSR1ALDH1A1
SCHEMBL20467154 0.81 ALOX15 (0.40) GUSBKMT2AALDH1A1PIK3CAKDM4E
SCHEMBL19805165 0.78 GUSB (0.44) GUSBTSHRKMT2ANPSR1ALDH1A1
SCHEMBL19805169 0.78 PRKCI (0.46) GUSBALDH1A1PIK3CAPRKCIPIM1
SCHEMBL19805181 0.75 PRKCI (0.64) GUSBPIK3CAPRKCIPIK3CDPIK3CB
SCHEMBL15125098 0.73 GUSB (1.00) GUSBTSHRKMT2ANPSR1ALDH1A1
SCHEMBL19805115 0.71 GUSB (0.94) GUSBTSHRKMT2ANPSR1ALDH1A1
SCHEMBL19805201 0.70 ALOX15 (0.41) KMT2APIK3CAPIK3CDPIK3CBPIK3CG

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 1/4885TSHR 4825/4885KMT2A 4235/4885
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF GUSB, ENGASE, MGAM GUSB 1/4885TSHR 4825/4885KMT2A 4235/4885

“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.

Send feedback