SCHEMBL8404658

SCHEMBL8404658

CCc1ccc(C(=O)NCC2CCCO2)cc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.81
MEN1 O00255 1/20 0.81
HPGD P15428 9/20 0.71
SMN1; SMN2 Q16637 9/20 0.71
LMNA P02545 3/20 0.70
NPC1 O15118 2/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
RAB9A P51151 2/20 0.67
ALDH1A1 P00352 3/20 0.67
TSHR P16473 2/20 0.66
POLB P06746 1/20 0.66
MAPT P10636 1/20 0.66
CYP1A2 P05177 1/20 0.65
RECQL P46063 1/20 0.64
KDM4E B2RXH2 1/20 0.63
TAAR1 Q96RJ0 1/20 0.62

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
SCHEMBL7447564 0.88 KMT2A (0.83) KMT2AMEN1HPGDSMN1; SMN2LMNA
SCHEMBL15947382 0.87 KMT2A (0.77) KMT2AMEN1HPGDSMN1; SMN2LMNA
SCHEMBL8404659 0.86 KMT2A (0.81) KMT2AMEN1HPGDSMN1; SMN2LMNA
SCHEMBL11918653 0.86 KMT2A (0.86) KMT2AMEN1HPGDSMN1; SMN2LMNA
SCHEMBL279957 0.86 KMT2A (0.86) KMT2AMEN1HPGDSMN1; SMN2LMNA
SCHEMBL14853589 0.85 KMT2A (0.73) KMT2AMEN1HPGDSMN1; SMN2LMNA
SCHEMBL6570578 0.85 KMT2A (0.88) KMT2AMEN1HPGDSMN1; SMN2LMNA
SCHEMBL3408099 0.84 KMT2A (0.81) KMT2AMEN1HPGDSMN1; SMN2LMNA
Bromide SCHEMBL11867443 0.84 KMT2A (0.71) KMT2AMEN1HPGDSMN1; SMN2LMNA
SCHEMBL763451 0.83 KMT2A (0.86) KMT2AMEN1HPGDSMN1; SMN2LMNA

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 7 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
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 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 (3 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 KMT2A 1024/4885MEN1 1209/4885HPGD 750/4885
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 KMT2A 1679/4885MEN1 1274/4885HPGD 2680/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 KMT2A 1024/4885MEN1 1209/4885HPGD 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.