SCHEMBL16128005

SCHEMBL16128005

CNCc1cccnc1Oc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CARM1 Q86X55 1/20 0.47
▸ PRMT6 Q96LA8 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ HTT P42858 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MAPK8 P45983 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ SRD5A2 P31213 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPK14 Q16539 1/20 0.42

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
SCHEMBL16128001 0.87 KMT2A (0.48) KMT2AMEN1CARM1PRMT6TDP1
SCHEMBL17570339 0.86 CARM1 (0.49) KMT2AMEN1CARM1PRMT6TDP1
SCHEMBL16128022 0.86 PPARG (0.48) KMT2AMEN1CARM1PRMT6TDP1
SCHEMBL16128004 0.85 KMT2A (0.49) KMT2AMEN1CARM1PRMT6L3MBTL1
SCHEMBL16128021 0.83 KMT2A (0.51) KMT2AMEN1TDP1L3MBTL1HTT
SCHEMBL17570355 0.83 SLC6A4 (0.46) CARM1PRMT6
SCHEMBL16128002 0.82 LOXL2 (0.52) KMT2AMEN1TDP1L3MBTL1HTT
SCHEMBL16128023 0.82 TTR (0.52) CARM1PRMT6L3MBTL1NPSR1MAPK8
SCHEMBL16128000 0.80 KMT2A (0.48) KMT2AMEN1TDP1L3MBTL1HTT
SCHEMBL17570342 0.79 KMT2A (0.47) KMT2AMEN1CARM1PRMT6TDP1

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-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE GRA VENTURE FUND, LLC 2018-05-03 — — US disclosed
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-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
WO-2014152536-A2 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. (US) 2014-09-25 — — WO 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 3813/4885CARM1 4718/4885
US-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R KMT2A 2649/4885MEN1 3813/4885CARM1 4718/4885

“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.

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