SCHEMBL8593250

SCHEMBL8593250

COC(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCC3CCCO3)cc2)s1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 10/20 0.60
▸ SMN1; SMN2 Q16637 8/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ TSHR P16473 2/20 0.57
▸ ROCK2 O75116 1/20 0.55
▸ LMNA P02545 4/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ RAB9A P51151 1/20 0.52

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
SCHEMBL276395 0.89 KMT2A (0.64) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL8590837 0.89 KMT2A (0.64) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL15259117 0.88 KMT2A (0.62) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL15947382 0.79 KMT2A (0.77) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL8404658 0.79 KMT2A (0.81) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL14395933 0.78 KMT2A (0.67) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL14853589 0.77 KMT2A (0.73) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL8591612 0.77 KMT2A (0.65) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL276856 0.77 KMT2A (0.68) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
Bromide SCHEMBL11867443 0.76 KMT2A (0.71) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1

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-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 — — US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 — — US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 — — 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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 HPGD 750/4885SMN1; SMN2 555/4885KMT2A 1024/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 HPGD 750/4885SMN1; SMN2 555/4885KMT2A 1024/4885

“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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