SCHEMBL20467172

SCHEMBL20467172

Clc1nnnc2c1sc1nc(-c3ccccc3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 3/20 0.52
▸ NPC1 O15118 7/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ ALDH1A1 P00352 6/20 0.38
▸ MAPT P10636 6/20 0.38
▸ MEN1 O00255 6/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ TLR9 Q9NR96 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ HTT P42858 1/20 0.37

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
SCHEMBL11479791 0.83 LIMK1 (0.52) LIMK1NPC1RAB9AALDH1A1MAPT
SCHEMBL19805093 0.81 LIMK1 (0.53) LIMK1NPC1RAB9AALDH1A1MAPT
SCHEMBL19805136 0.80 LIMK1 (0.71) LIMK1NPC1RAB9AALDH1A1MAPT
SCHEMBL11477655 0.78 MAPT (0.49) LIMK1NPC1RAB9AALDH1A1MAPT
SCHEMBL11478003 0.74 LIMK1 (0.49) LIMK1NPC1RAB9AALDH1A1MAPT
SCHEMBL19805169 0.74 PRKCI (0.46) LIMK1NPC1RAB9AALDH1A1MAPT
SCHEMBL23327889 0.70 TDP1 (0.39) RAB9AALDH1A1MAPTKMT2AKDM4E
SCHEMBL4892520 0.70 LIMK1 (0.72) LIMK1NPC1RAB9AALDH1A1MAPT
SCHEMBL11097837 0.69 LIMK1 (0.47) LIMK1NPC1RAB9AALDH1A1MAPT
SCHEMBL4901470 0.69 LIMK1 (1.00) LIMK1NPC1RAB9AALDH1A1MAPT

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 3 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

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 LIMK1 3876/4885NPC1 1196/4885RAB9A 3741/4885
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF GUSB, ENGASE, MGAM LIMK1 3876/4885NPC1 1196/4885RAB9A 3741/4885

“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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