SCHEMBL19805182

SCHEMBL19805182

Clc1nc(N2CCNCC2)c2sc3nc(N4CCOCC4)ccc3c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PRKCI P41743 4/20 0.44
▸ PIK3CA P42336 3/20 0.44
▸ GUSB P08236 1/20 0.42
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ HTR3E A5X5Y0 2/20 0.37
▸ HTR3B O95264 2/20 0.37
▸ HTR3A P46098 2/20 0.37
▸ HTR3D Q70Z44 2/20 0.37
▸ HTR3C Q8WXA8 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL19805163 0.85 TSHR (0.44) TSHRKMT2ANPSR1PRKCIPIK3CA
SCHEMBL19805167 0.84 PIK3CA (0.60) HTR2CTSHRKMT2ANPSR1PRKCI
SCHEMBL19805166 0.84 GUSB (0.58) HTR2CTSHRKMT2ANPSR1PRKCI
SCHEMBL19805201 0.83 ALOX15 (0.41) KMT2APIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL19805202 0.79 MAP4K4 (0.43) PIK3CAPIK3CDPIK3CG
SCHEMBL1164956 0.77 PIK3CA (0.71) KMT2APRKCIPIK3CAPIK3CDPIK3CB
SCHEMBL4067147 0.74 HTR2C (0.43) HTR2CTSHRKMT2ANPSR1PRKCI
SCHEMBL2614852 0.74 GUSB (0.73) HTR2CTSHRKMT2ANPSR1GUSB
SCHEMBL20467154 0.73 ALOX15 (0.40) KMT2APIK3CAGUSBALDH1A1ALOX15
SCHEMBL19805189 0.73 PIK3CA (0.51) TSHRKMT2ANPSR1PIK3CAALDH1A1

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 HTR2C 4260/4885TSHR 4825/4885KMT2A 4235/4885
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF GUSB, ENGASE, MGAM HTR2C 4260/4885TSHR 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.

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