SCHEMBL8404654

SCHEMBL8404654

NCc1ccc(C(=O)NCc2ccco2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.69
MLYCD O95822 1/20 0.64
HPGD P15428 9/20 0.63
ALDH1A1 P00352 4/20 0.63
LMNA P02545 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.62
TP53 P04637 3/20 0.61
POLB P06746 3/20 0.61
HSD17B10 Q99714 1/20 0.61
MAPT P10636 3/20 0.60
NPC1 O15118 1/20 0.60
TSHR P16473 1/20 0.60
RAB9A P51151 1/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL8404655 0.85 TDP1 (0.74) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL13212973 0.85 TDP1 (0.73) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL4491643 0.83 TDP1 (0.75) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL1490952 0.83 HPGD (0.76) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL2422719 0.82 TDP1 (0.73) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL95374 0.82 TDP1 (0.73) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL6023593 0.82 TDP1 (1.00) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL11872607 0.82 TDP1 (0.68) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL18362320 0.81 TDP1 (0.63) TDP1MLYCDHPGDALDH1A1LMNA
SCHEMBL1394361 0.81 HPGD (0.72) TDP1MLYCDHPGDALDH1A1LMNA

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 TDP1 564/4885MLYCD 3052/4885HPGD 750/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 TDP1 564/4885MLYCD 3052/4885HPGD 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.