SCHEMBL8404683

SCHEMBL8404683

NCc1ccc(C(=O)NCCN(CCO)CCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.52
SLC22A2 O15244 1/20 0.52
SLC22A1 O15245 1/20 0.52
ACHE P22303 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
HDAC3 O15379 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
NCOR2 Q9Y618 1/20 0.51
BLM P54132 3/20 0.51
PMP22 Q01453 2/20 0.51
MCHR1 Q99705 1/20 0.51
NFKB1 P19838 2/20 0.46
KCNH2 Q12809 1/20 0.46
POLB P06746 2/20 0.45
CYP3A4 P08684 1/20 0.45
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL5050844 0.88 ALDH1A1 (0.45) LMNAALDH1A1TSHRSLC22A2SLC22A1
SCHEMBL8404684 0.85 ALDH1A1 (0.56) LMNAALDH1A1TSHRSLC22A2SLC22A1
SCHEMBL19634425 0.85 ALDH1A1 (0.73) LMNAALDH1A1TSHRSLC22A2SLC22A1
SCHEMBL8404664 0.84 HDAC3 (0.61) TSHRHDAC3HDAC6NCOR2BLM
SCHEMBL13496897 0.83 LMNA (0.48) LMNAALDH1A1TSHRSLC22A2SLC22A1
SCHEMBL15947383 0.82 ALDH1A1 (0.50) LMNAALDH1A1TSHRSLC22A2SLC22A1
SCHEMBL13496890 0.82 LMNA (0.50) LMNAALDH1A1TSHRSLC22A2SLC22A1
Hydrochloric Acid SCHEMBL11907494 0.82 HDAC3 (0.59) TSHRHDAC3HDAC6NCOR2BLM
SCHEMBL5009757 0.81 ALDH1A1 (0.60) LMNAALDH1A1TSHRSLC22A2SLC22A1
SCHEMBL14038077 0.79 HDAC3 (0.49) LMNAALDH1A1TSHRSLC22A2SLC22A1

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 6 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-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-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
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 LMNA 1746/4885ALDH1A1 291/4885TSHR 2617/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 LMNA 1746/4885ALDH1A1 291/4885TSHR 2617/4885

“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.