SCHEMBL17822347

SCHEMBL17822347

COC(=O)C(N)Cc1ccc(OC(=O)N2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ PTGS2 P35354 1/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ SRD5A1 P18405 2/20 0.46
▸ ITGB1 P05556 2/20 0.44
▸ ITGA4 P13612 2/20 0.44
▸ ITGB7 P26010 2/20 0.44
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ FAP Q12884 1/20 0.43

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
SCHEMBL17822346 1.00 ALDH1A1 (0.55) ALDH1A1POLBPTGS2SMN1; SMN2NPC1
SCHEMBL4618111 0.86 SMN1; SMN2 (0.52) ALDH1A1POLBPTGS2SMN1; SMN2NPC1
SCHEMBL2951695 0.85 ALDH1A1 (0.59) ALDH1A1POLBSMN1; SMN2NPC1MAPT
SCHEMBL5009929 0.84 ALDH1A1 (0.62) ALDH1A1POLBSMN1; SMN2NPC1MAPT
SCHEMBL5013682 0.83 ALDH1A1 (0.55) ALDH1A1POLBSMN1; SMN2NPC1MAPT
SCHEMBL8093852 0.82 ALDH1A1 (0.45) ALDH1A1PTGS2SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL3643724 0.81 ALDH1A1 (0.47) ALDH1A1PTGS2SMN1; SMN2KMT2AMEN1
SCHEMBL1969572 0.81 ALDH1A1 (0.48) ALDH1A1POLBPTGS2MAPTKMT2A
SCHEMBL28785028 0.80 ALDH1A1 (0.68) ALDH1A1POLBPTGS2SMN1; SMN2NPC1
SCHEMBL2058808 0.78 ITGB1 (0.48) ALDH1A1POLBSMN1; SMN2NPC1MAPT

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-20170348375-A1 DISLODGEMENT AND RELEASE OF HSC FROM THE BONE MARROW STEM CELL NICHE USING ALPHA9 INTEGRIN ANTAGONISTS COMMW SCIENT IND RES ORG (AU) 2017-12-07 — — US disclosed
EP-3229797-A1 DISLODGEMENT AND RELEASE OF HSC FROM THE BONE MARROW STEM CELL NICHE USING ALPHA9 INTEGRIN ANTAGONISTS Commonwealth Scientific and Industrial Research Organisation (AU) 2017-10-18 — — EP disclosed
WO-2016090403-A1 DISLODGEMENT AND RELEASE OF HSC FROM THE BONE MARROW STEM CELL NICHE USING ALPHA9 INTEGRIN ANTAGONISTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-06-16 — — 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 (1 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-20170348375-A1 DISLODGEMENT AND RELEASE OF HSC FROM THE BONE MARROW STEM CELL NICHE USING ALPHA9 INTEGRIN ANTAGONISTS CXCL12, BST2, CCR9 ALDH1A1 401/4885POLB 4358/4885PTGS2 2746/4885

“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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