SCHEMBL8590837

SCHEMBL8590837

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ HPGD P15428 8/20 0.57
▸ SMN1; SMN2 Q16637 8/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ LMNA P02545 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 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
SCHEMBL15259117 0.93 KMT2A (0.62) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL276856 0.89 KMT2A (0.68) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL8593250 0.89 HPGD (0.60) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL15947382 0.79 KMT2A (0.77) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL8404659 0.79 KMT2A (0.81) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL14395933 0.78 KMT2A (0.67) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL7447564 0.78 KMT2A (0.83) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL14853589 0.78 KMT2A (0.73) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL8404658 0.77 KMT2A (0.81) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1
Bromide SCHEMBL11867443 0.77 KMT2A (0.71) KMT2AMEN1HPGDSMN1; SMN2L3MBTL1

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 KMT2A 1024/4885MEN1 1209/4885HPGD 750/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 KMT2A 1024/4885MEN1 1209/4885HPGD 750/4885

“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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