SCHEMBL6538412

SCHEMBL6538412

O=[C]c1[c]c2ccccc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 2/20 0.31
GPR3 P46089 1/20 0.31
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4861230 0.79 IMPDH2 (0.34) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11785225 0.70 ALDH1A1 (0.38) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8588800 0.67 ALDH1A1 (0.40) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4466423 0.67 ALDH1A1 (0.35) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29547 0.67 AHR (0.37) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1388471 0.67 ALDH1A1 (0.35) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1388411 0.67 ALDH1A1 (0.35) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7288684 0.67 ALDH1A1 (0.35) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7288961 0.67 ALDH1A1 (0.35) KDM4EGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2230518 0.67 ALDH1A1 (0.35) KDM4EGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092436-A1 Immunosuppressive imidazole derivatives and their combination preparations with tacrolimus of cyclosporins FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2004-05-13 US disclosed
US-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
EP-1067926-A2 IMMUNOSUPPRESSIVE IMIDAZOLE DERIVATIVES AND THEIR COMBINATION PREPARATIONS WITH TACROLIMUS OR CYCLOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-17 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 WO disclosed
WO-1999051215-A2 IMMUNOSUPPRESSIVE IMIDAZOLE DERIVATIVES AND THEIR COMBINATION PREPARATIONS WITH TACROLIMUS OR CYCLOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-14 WO disclosed
EP-0946587-A2 NEW AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998027108-A2 NEW AMIDE COMPOUNDS AND THEIR USE AS NITRIC OXIDE SYNTHASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-25 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 (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-20040092436-A1 Immunosuppressive imidazole derivatives and their combination preparations with tacrolimus of cyclosporins IL2, ICOS, NOS2 KDM4E 2704/4885GRIN2D 2358/4885GRIN3B 2844/4885

“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.