SCHEMBL8545769

SCHEMBL8545769

COC(=O)c1ccc(C(=O)NCc2ccc(C(=O)N3CCN(CCOCCO)CC3)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.48
DRD3 P35462 6/20 0.46
DRD2 P14416 6/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNA5 P22460 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRKAA2 P54646 1/20 0.41
PARP1 P09874 1/20 0.41
EPHX2 P34913 1/20 0.40
LIPG Q9Y5X9 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
SCHEMBL8543989 0.91 NAMPT (0.49) NAMPTDRD3DRD2MEN1KMT2A
SCHEMBL15259144 0.91 NAMPT (0.48) NAMPTDRD3DRD2MEN1KMT2A
SCHEMBL20458263 0.81 NAMPT (0.54) NAMPTDRD3DRD2MEN1KMT2A
SCHEMBL15947381 0.81 NAMPT (0.58) NAMPTDRD3DRD2KCNA5ALDH1A1
SCHEMBL8611974 0.80 HDAC3 (0.45) NAMPTMEN1KMT2AALDH1A1MAPT
SCHEMBL8404673 0.79 DRD3 (0.65) NAMPTDRD3DRD2KCNA5ALDH1A1
SCHEMBL8543987 0.79 NAMPT (0.52) NAMPTDRD3DRD2MEN1KMT2A
SCHEMBL14853580 0.78 NAMPT (0.55) NAMPTDRD3DRD2KCNA5ALDH1A1
SCHEMBL8575209 0.77 NAMPT (0.36) NAMPTDRD3DRD2MEN1KMT2A
SCHEMBL8575552 0.76 MEN1 (0.41) NAMPTDRD2MEN1KMT2AALDH1A1

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 NAMPT 980/4885DRD3 2176/4885DRD2 3480/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 NAMPT 980/4885DRD3 2176/4885DRD2 3480/4885

“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.