SCHEMBL17570341

SCHEMBL17570341

CCOC(=O)c1ccc(Oc2ncccc2CN(C)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TSHR P16473 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NPSR1 Q6W5P4 4/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ MAPT P10636 5/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ACHE P22303 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ STS P08842 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40

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
SCHEMBL16128020 0.89 KMT2A (0.50) KMT2AMEN1TSHRALDH1A1NPSR1
SCHEMBL17570342 0.86 KMT2A (0.47) KMT2AMEN1ALDH1A1NPSR1L3MBTL1
SCHEMBL17570340 0.82 KMT2A (0.46) KMT2AMEN1ALDH1A1NPSR1L3MBTL1
SCHEMBL16128004 0.81 KMT2A (0.49) KMT2AMEN1ALDH1A1NPSR1L3MBTL1
SCHEMBL16127999 0.80 KMT2A (0.48) KMT2AMEN1TSHRALDH1A1NPSR1
SCHEMBL2458300 0.77 PDE10A (0.53) TSHRALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL11812647 0.75 TDP1 (0.50) ALDH1A1L3MBTL1HTTMAPTNPC1
SCHEMBL2462016 0.74 ALDH1A1 (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13563469 0.74 STS (0.52) TSHRALDH1A1NPSR1L3MBTL1MAPT
SCHEMBL16128021 0.73 KMT2A (0.51) KMT2AMEN1ALDH1A1NPSR1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE GRA VENTURE FUND, LLC 2018-05-03 — — US disclosed
US-9822106-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2017-11-21 — — US disclosed
US-20160068522-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2016-03-10 — — US disclosed
US-20160068522-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2016-03-10 — — 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-20160068522-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R KMT2A 2649/4885MEN1 3813/4885TSHR 2299/4885
US-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R KMT2A 2649/4885MEN1 3813/4885TSHR 2299/4885

“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.

Send feedback