SCHEMBL16128022

SCHEMBL16128022

CNCc1cccnc1Oc1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.48
▸ AKR1C3 P42330 1/20 0.48
▸ CARM1 Q86X55 1/20 0.47
▸ PRMT6 Q96LA8 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ NR4A2 P43354 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL16128003 0.88 KMT2A (0.47) PPARGAKR1C3CARM1PRMT6LOXL2
SCHEMBL17570344 0.87 CARM1 (0.49) PPARGAKR1C3CARM1PRMT6LOXL2
SCHEMBL16128005 0.86 KMT2A (0.50) CARM1PRMT6KMT2AMEN1TDP1
SCHEMBL17570355 0.82 SLC6A4 (0.46) CARM1PRMT6
SCHEMBL16128023 0.81 TTR (0.52) CARM1PRMT6
SCHEMBL16128004 0.75 KMT2A (0.49) CARM1PRMT6KMT2AMEN1NPC1
SCHEMBL7307728 0.74 MAPK8 (0.78) LOXL2KMT2A
SCHEMBL7312518 0.74 RAB9A (0.59) PPARGAKR1C3LOXL2RAB9ATDP1
SCHEMBL5878723 0.74 HTR2A (0.63) —
SCHEMBL16128001 0.74 KMT2A (0.48) CARM1PRMT6KMT2AMEN1TDP1

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 PPARG 1869/4885AKR1C3 625/4885CARM1 4718/4885
US-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R PPARG 1869/4885AKR1C3 625/4885CARM1 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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