SCHEMBL4845248

SCHEMBL4845248

BrCc1ccccc1-c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.61
DPP4 P27487 2/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
ATM Q13315 1/20 0.38
LTK P29376 1/20 0.38
CDK5 Q00535 1/20 0.38
MST1R Q04912 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TDO2 P48775 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAOB P27338 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6028964 0.80 LTA4H (0.61) LTA4HDPP4RAB9ANPC1ATM
SCHEMBL3780733 0.80 LTA4H (0.61) LTA4HDPP4RAB9ANPC1ATM
SCHEMBL5023959 0.80 LTA4H (0.66) LTA4HDPP4RAB9ANPC1LTK
SCHEMBL4846964 0.80 LTA4H (0.61) LTA4HDPP4RAB9ANPC1ATM
SCHEMBL477614 0.80 LTA4H (0.61) LTA4HDPP4RAB9ANPC1ATM
SCHEMBL4848749 0.80 LTA4H (0.61) LTA4HDPP4RAB9ANPC1ATM
SCHEMBL5018875 0.79 LTA4H (0.60) LTA4HDPP4RAB9ANPC1ATM
Hydrochloric Acid SCHEMBL2463750 0.78 LTA4H (0.59) LTA4HDPP4RAB9ANPC1ATM
SCHEMBL995326 0.78 LTA4H (0.55) LTA4HRAB9ANPC1ATMLTK
SCHEMBL3906600 0.77 LTA4H (0.57) LTA4HDPP4RAB9ANPC1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180305331-A1 PYRIDONE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS SELVITA S.A. (PL) 2018-10-25 US disclosed
US-7463400-B1 Electrochromic display device FUJI XEROX CO., LTD. (JP) 2008-12-09 US disclosed
US-6284365-B1 FOR CONTROLLING PHYSICAL PROPERTIES OF SURFACE AND INTERFACE OF SOLID ARTICLE SUCH AS WETTABILITY, ADHESIVE PROPERTY, SURFACE ENERGY, DISPERSABILITY, CHEMICAL RESISTANCE FUJI XEROX CO., LTD. (JP) 2001-09-04 US disclosed
US-5252574-A Hypotensive agents, vision disorder MERCK & CO., INC. (US) 1993-10-12 US disclosed
US-5198438-A ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED THIOPHENE OR FURAN MERCK & CO., INC. (US) 1993-03-30 US disclosed
US-5177074-A Heterocyclic nitrogen compounds used to treat hypertension, cognitive dysfunction, anxiety or depression MERCK & CO., INC. (US) 1993-01-05 US disclosed
EP-0513979-A1 Angiotensin II antagonists incorporating a substituted thiophene or furan MERCK & CO. INC. (US) 1992-11-19 EP disclosed
EP-0512675-A1 Angiotensin II antagonists incorporating a substituted thiophene or furan MERCK & CO. INC. (US) 1992-11-11 EP disclosed
EP-0510812-A1 Angiotensin II antagonists incorporating a substituted thiophene or furan MERCK & CO. INC. (US) 1992-10-28 EP disclosed
US-4426524-A Heterocyclic substituted benzyl alcohol, insecticidal ester derivatives, and intermediates FMC CORPORATION (US) 1984-01-17 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-20180305331-A1 PYRIDONE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS PDXK, PLK2, MAP4K2 LTA4H 2772/4885DPP4 1992/4885RAB9A 3312/4885

“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.