SCHEMBL5717639

SCHEMBL5717639

NC(=O)Cc1csc(NC(=O)CSc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ POLB P06746 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ MAPT P10636 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ CSNK2A1 P68400 1/20 0.51
▸ LMNA P02545 2/20 0.51
▸ PDE5A O76074 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ FZD7 O75084 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL5717756 0.90 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2POLBRAB9AKMT2A
SCHEMBL5717595 0.84 KMT2A (0.55) ALDH1A1SMN1; SMN2POLBRAB9AKMT2A
SCHEMBL5717620 0.78 KDM4E (0.74) SMN1; SMN2RAB9ACSNK2A1PDE5AKDM4E
SCHEMBL5717707 0.77 TSHR (0.71) ALDH1A1SMN1; SMN2POLBRAB9AKMT2A
SCHEMBL3253804 0.76 ROCK1 (0.68) ALDH1A1SMN1; SMN2POLBRAB9AKMT2A
SCHEMBL29530751 0.76 CSNK2A1 (0.50) ALDH1A1SMN1; SMN2POLBRAB9AKMT2A
SCHEMBL5717607 0.75 KMT2A (0.56) ALDH1A1SMN1; SMN2POLBRAB9AKMT2A
SCHEMBL3653730 0.74 ROCK2 (0.60) ALDH1A1CSNK2A1LMNAPDE5AKDM4E
SCHEMBL16434543 0.73 LMNA (0.59) ALDH1A1SMN1; SMN2POLBRAB9AKMT2A
SCHEMBL1514790 0.73 KMT2A (0.64) ALDH1A1SMN1; SMN2POLBRAB9AKMT2A

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
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 — — EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 — — US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 — — US 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 ALDH1A1 2549/4885SMN1; SMN2 3554/4885POLB 2625/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 ALDH1A1 2549/4885SMN1; SMN2 3554/4885POLB 2625/4885

“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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