SCHEMBL19805136

SCHEMBL19805136

Clc1ncnc2c1sc1nc(-c3ccccc3)ccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 7/20 0.71
▸ CLK1 P49759 5/20 0.48
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CDC7 O00311 2/20 0.42
▸ DBF4 Q9UBU7 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TLR9 Q9NR96 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL4901470 0.83 LIMK1 (1.00) LIMK1CLK1NPC1RAB9AKDM4E
SCHEMBL19805093 0.81 LIMK1 (0.53) LIMK1CLK1NPC1RAB9AKDM4E
SCHEMBL20467172 0.80 LIMK1 (0.52) LIMK1CLK1NPC1RAB9AKDM4E
SCHEMBL31683835 0.74 CHEK2 (0.57) LIMK1CLK1NPC1KDM4EALDH1A1
SCHEMBL23327861 0.74 CHEK2 (0.57) LIMK1CLK1NPC1KDM4EALDH1A1
SCHEMBL9042411 0.74 CLK1 (0.67) LIMK1CLK1NPC1KDM4EALDH1A1
SCHEMBL30093319 0.74 CLK1 (0.67) LIMK1CLK1NPC1KDM4EALDH1A1
SCHEMBL19805137 0.74 HTR2C (0.62) LIMK1KDM4EALDH1A1KMT2AADORA2A
SCHEMBL20467124 0.73 LIMK1 (0.57) LIMK1CLK1NPC1RAB9AKDM4E
SCHEMBL19805138 0.72 LIMK1 (0.56) LIMK1NPC1RAB9AKDM4EALDH1A1

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-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 LIMK1 3876/4885CLK1 4395/4885NPC1 1196/4885
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF GUSB, ENGASE, MGAM LIMK1 3876/4885CLK1 4395/4885NPC1 1196/4885

“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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