SCHEMBL8404684

SCHEMBL8404684

CCc1ccc(C(=O)NCCN(CCO)CCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
SLC22A2 O15244 1/20 0.56
SLC22A1 O15245 1/20 0.56
TSHR P16473 1/20 0.56
ACHE P22303 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
BLM P54132 2/20 0.55
PMP22 Q01453 1/20 0.55
NFKB1 P19838 1/20 0.52
KCNH2 Q12809 1/20 0.52
PLK1 P53350 1/20 0.51
POLB P06746 3/20 0.51
CYP3A4 P08684 1/20 0.51
THRB P10828 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
OPRK1 P41145 4/20 0.51
OPRM1 P35372 2/20 0.51

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
SCHEMBL17688292 0.94 ALDH1A1 (0.62) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL12845484 0.88 LMNA (0.72) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL15947383 0.85 ALDH1A1 (0.50) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL8404683 0.85 LMNA (0.52) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL8404665 0.84 PLK1 (0.61) ALDH1A1LMNAMAPK1PLK1POLB
SCHEMBL10076245 0.83 ALDH1A1 (0.66) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL18667945 0.81 POLB (0.64) ALDH1A1MAPK1PLK1POLBTDP1
SCHEMBL14399552 0.80 ALDH1A1 (0.54) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL14947438 0.80 HPGD (0.67) ALDH1A1PLK1POLBTHRBSMN1; SMN2
SCHEMBL14094742 0.79 MAPT (0.56) LMNAPOLBSMN1; SMN2CA12CA9

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 ALDH1A1 291/4885LMNA 1746/4885SLC22A2 665/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 ALDH1A1 291/4885LMNA 1746/4885SLC22A2 665/4885

“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.