SCHEMBL3043398

SCHEMBL3043398

O=C(NCCNCc1ccc(Oc2ccccc2)cc1)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.56
ADRB2 P07550 3/20 0.56
ADRB3 P13945 3/20 0.56
MAPK14 Q16539 4/20 0.55
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.55
HTT P42858 1/20 0.55
MMP13 P45452 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP4Z1 Q86W10 1/20 0.54
HPGD P15428 1/20 0.49
DRD3 P35462 5/20 0.49
DRD2 P14416 4/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP2 P08253 1/20 0.47
CA9 Q16790 1/20 0.47
LTA4H P09960 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL9364213 0.91 CYP4Z1 (0.64) ADRB1ADRB2ADRB3CYP3A4HTT
Hydrochloric Acid SCHEMBL9367421 0.90 CYP4Z1 (0.63) ADRB1ADRB2ADRB3CYP3A4HTT
SCHEMBL3030365 0.89 ADRB2 (0.58) ADRB1ADRB2ADRB3LMNACYP3A4
SCHEMBL3041481 0.82 MAPK14 (0.53) MAPK14LMNACYP3A4HTTMMP13
SCHEMBL4755507 0.81 HPGD (0.64) MAPK14LMNACYP3A4HTTMMP13
SCHEMBL3043653 0.80 MAPK14 (0.53) MAPK14LMNACYP3A4HTTMMP13
SCHEMBL3038826 0.80 HPGD (0.63) MAPK14LMNACYP3A4HTTMMP13
SCHEMBL8508590 0.78 CYP4Z1 (0.65) ADRB1ADRB2ADRB3SMN1; SMN2CYP4Z1
SCHEMBL3039071 0.78 EPHX2 (0.64) MAPK14LMNACYP3A4HTTMMP13
SCHEMBL8486628 0.77 ADRB2 (0.58) ADRB1ADRB2ADRB3CYP3A4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250296935-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase CELLTAXIS LLC (US) 2025-09-25 US disclosed
US-12173009-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase CELLTAXIS, LLC (US) 2024-12-24 US disclosed
US-20230250104-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS LLC (US) 2023-08-10 US disclosed
US-11267819-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase Celltaxsis, LLC (US) 2022-03-08 US disclosed
US-20200308181-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2020-10-01 US disclosed
EP-3205644-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Celtaxsys Inc. (US) 2017-08-16 EP disclosed
EP-1976828-B1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS INC (US) 2016-12-21 EP disclosed
US-20160272649-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS INC (US) 2016-09-22 US disclosed
US-9315509-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2016-04-19 US disclosed
US-20150080382-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE DOMAIN PARTNERS VIII, L.P. 2015-03-19 US disclosed
US-8569303-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2013-10-29 US disclosed
US-20130123243-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. 2013-05-16 US disclosed
US-20100210630-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase ESTRELLITA PHARMACEUTICALS, LLC 2010-08-19 US disclosed
US-7737145-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase ESTRELLITA PHARMACEUTICALS, LLC (US) 2010-06-15 US disclosed
US-20070155726-A1 Diamine derivatives as inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESELLSCHAFT (DE) 2007-07-05 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 (10 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-20130123243-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S ADRB1 889/4885ADRB2 1634/4885ADRB3 731/4885
US-12173009-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S ADRB1 889/4885ADRB2 1634/4885ADRB3 731/4885
US-20150080382-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S ADRB1 889/4885ADRB2 1634/4885ADRB3 731/4885
US-20250296935-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S ADRB1 889/4885ADRB2 1634/4885ADRB3 731/4885
US-20070155726-A1 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S ADRB1 889/4885ADRB2 1634/4885ADRB3 731/4885
US-11267819-B2 Diamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S ADRB1 889/4885ADRB2 1634/4885ADRB3 731/4885
US-20230250104-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S ADRB1 889/4885ADRB2 1634/4885ADRB3 731/4885
US-20200308181-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S ADRB1 889/4885ADRB2 1634/4885ADRB3 731/4885
US-20100210630-A1 Diamine Derivatives as Inhibitors of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S ADRB1 889/4885ADRB2 1634/4885ADRB3 731/4885
US-20160272649-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S ADRB1 889/4885ADRB2 1634/4885ADRB3 731/4885

“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.