SCHEMBL17570355

SCHEMBL17570355

CNCc1cccnc1Oc1ccc(C(=O)O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 8/20 0.46
▸ SLC6A2 P23975 7/20 0.46
▸ SLC6A3 Q01959 5/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ CARM1 Q86X55 3/20 0.45
▸ PRMT6 Q96LA8 2/20 0.43
▸ AURKB Q96GD4 2/20 0.40
▸ KDR P35968 1/20 0.40
▸ TEK Q02763 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ TPX2 Q9ULW0 1/20 0.39
▸ MRGPRX4 Q96LA9 2/20 0.39

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
SCHEMBL17570343 0.87 CARM1 (0.46) CARM1PRMT6AURKBMRGPRX4
SCHEMBL16128023 0.87 TTR (0.52) SLC6A4SLC6A2SLC6A3KCNH2CARM1
SCHEMBL16128005 0.83 KMT2A (0.50) CARM1PRMT6
SCHEMBL16128022 0.82 PPARG (0.48) CARM1PRMT6
SCHEMBL16128006 0.76 TSHR (0.51) CARM1MRGPRX4
SCHEMBL20101482 0.75 TTR (0.49) CARM1PRMT6MRGPRX4
SCHEMBL16128004 0.74 KMT2A (0.49) CARM1PRMT6
SCHEMBL19050227 0.73 EPHX2 (0.60) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL272042 0.72 CA12 (0.57) —
SCHEMBL16128014 0.72 TTR (0.54) CARM1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SLC6A4 2186/4885SLC6A2 4367/4885SLC6A3 4662/4885

“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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