SCHEMBL19805169

SCHEMBL19805169

c1ccc(-c2ccc3c(n2)sc2c(N4CCNCC4)nnnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 4/20 0.46
▸ GUSB P08236 1/20 0.44
▸ LIMK1 P53667 1/20 0.44
▸ PIM1 P11309 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ HTR2C P28335 2/20 0.42
▸ ADORA2A P29274 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL19805137 0.84 HTR2C (0.62) PRKCILIMK1PIM1PIM3PIM2
SCHEMBL19805185 0.81 PRKCI (0.48) PRKCILIMK1PIM1PIM3PIM2
SCHEMBL19805096 0.81 PRKCI (0.48) PRKCILIMK1PIM1PIM3PIM2
SCHEMBL19805097 0.81 PRKCI (0.48) PRKCILIMK1PIM1PIM3PIM2
SCHEMBL19805165 0.80 GUSB (0.44) PRKCIGUSBHTR2CADORA2AALDH1A1
SCHEMBL19805181 0.79 PRKCI (0.64) PRKCIGUSBHTR2CPIK3CA
SCHEMBL19805166 0.78 GUSB (0.58) PRKCIGUSBPIM1PIM3PIM2
SCHEMBL19805132 0.77 GBA1 (0.47) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL19805168 0.77 PRKCI (0.44) PRKCILIMK1PIM1PIM3PIM2
SCHEMBL20467172 0.74 LIMK1 (0.52) LIMK1ALDH1A1KDM4ENPC1MAPT

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 PRKCI 3195/4885GUSB 1/4885LIMK1 3876/4885
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF GUSB, ENGASE, MGAM PRKCI 3195/4885GUSB 1/4885LIMK1 3876/4885

“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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