SCHEMBL8573181

SCHEMBL8573181

COC(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)s1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
HPGD P15428 9/20 0.57
ALDH1A1 P00352 6/20 0.57
POLB P06746 3/20 0.55
TP53 P04637 2/20 0.55
HSD17B10 Q99714 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.53
MAPT P10636 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.52
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
MLYCD O95822 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 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
SCHEMBL1587763 0.91 ALDH1A1 (0.67) TDP1HPGDALDH1A1POLBTP53
SCHEMBL8573184 0.87 HPGD (0.60) TDP1HPGDALDH1A1POLBTP53
SCHEMBL15259140 0.86 HPGD (0.59) TDP1HPGDALDH1A1POLBTP53
SCHEMBL8592357 0.80 HDAC1 (0.49) ALDH1A1POLBSMN1; SMN2LMNAMAPT
SCHEMBL8404655 0.79 TDP1 (0.74) TDP1HPGDALDH1A1POLBTP53
SCHEMBL8578410 0.78 MEN1 (0.62) HPGDALDH1A1POLBHSD17B10SMN1; SMN2
SCHEMBL1587639 0.77 HPGD (0.72) TDP1HPGDALDH1A1POLBTP53
SCHEMBL8543968 0.77 HDAC1 (0.55) HPGDALDH1A1POLBLMNAMAPT
SCHEMBL8593304 0.76 SMN1; SMN2 (0.46) HPGDALDH1A1SMN1; SMN2CYP2C9MEN1
SCHEMBL11872607 0.76 TDP1 (0.68) TDP1HPGDALDH1A1POLBTP53

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 TDP1 564/4885HPGD 750/4885ALDH1A1 291/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 TDP1 564/4885HPGD 750/4885ALDH1A1 291/4885

“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.