SCHEMBL20238665

SCHEMBL20238665

NC(CCC(=O)Nc1ccc(Oc2ccc(-n3cccc3)cc2)cc1)C(=O)NCCc1cnc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 7/20 0.61
▸ S1PR1 P21453 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL20238663 1.00 LTA4H (0.61) LTA4HS1PR1CYP3A4CYP2D6TSHR
SCHEMBL20724690 0.91 LTA4H (0.57) LTA4HS1PR1CYP3A4CYP2D6TSHR
SCHEMBL21026684 0.86 CYP3A4 (0.50) LTA4HS1PR1CYP3A4CYP2D6TSHR
SCHEMBL20254739 0.81 LTA4H (0.63) LTA4H
SCHEMBL20995309 0.81 LTA4H (0.63) LTA4H
SCHEMBL20254737 0.81 LTA4H (0.63) LTA4H
SCHEMBL20995304 0.77 LTA4H (1.00) LTA4H
SCHEMBL20995305 0.77 LTA4H (1.00) LTA4H
SCHEMBL20253468 0.75 LTA4H (0.80) LTA4H
SCHEMBL21026802 0.75 LTA4H (0.80) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161437-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS INC (US) 2019-05-30 — — US claimed
EP-3551608-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Celtaxsys Inc. (US) 2019-10-16 — — EP disclosed
US-20190161437-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS INC (US) 2019-05-30 — — US disclosed
US-20190161437-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS INC (US) 2019-05-30 — — US disclosed
US-10202334-B2 Pendant amines and derivatives as inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2019-02-12 — — US disclosed
US-10202334-B2 Pendant amines and derivatives as inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2019-02-12 — — US disclosed
US-20180162804-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-06-14 — — US disclosed
WO-2018107167-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. (US) 2018-06-14 — — WO disclosed
US-20180162804-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-06-14 — — US disclosed
WO-2018107167-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. (US) 2018-06-14 — — WO disclosed
US-20180162804-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-06-14 — — 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-20180162804-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S LTA4H 1/4885S1PR1 659/4885CYP3A4 56/4885
US-10202334-B2 Pendant amines and derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885S1PR1 659/4885CYP3A4 56/4885
US-20190161437-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R LTA4H 1/4885S1PR1 679/4885CYP3A4 79/4885

“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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