SCHEMBL6884429

SCHEMBL6884429

N=C(N)[N]Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.50
GRIN1 Q05586 5/20 0.50
NOS2 P35228 2/20 0.50
IDO1 P14902 3/20 0.48
NOS1 P29475 3/20 0.48
NOS3 P29474 1/20 0.48
SIGMAR1 Q99720 3/20 0.46
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
F12 P00748 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41

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
SCHEMBL7635931 0.80 MASP2 (0.43) IDO1NOS1PRSS1PRSS3F2
SCHEMBL1791607 0.80 GRIN2B (0.59) GRIN2BGRIN1NOS2SIGMAR1GRIN2D
SCHEMBL7630047 0.78 NOS1 (0.57) GRIN2BGRIN1NOS2IDO1NOS1
SCHEMBL7260847 0.78 GRIN2B (0.47) GRIN2BGRIN1NOS2IDO1NOS1
SCHEMBL7260852 0.78 GRIN2B (0.47) GRIN2BGRIN1NOS2IDO1NOS1
SCHEMBL689470 0.77 GRIN2B (0.50) GRIN2BGRIN1NOS2SIGMAR1GRIN2D
SCHEMBL2500288 0.71 CES2 (0.48) GRIN2BGRIN1NOS2
SCHEMBL45769 0.71 GRIN2B (0.68) GRIN2BGRIN1NOS2SIGMAR1GRIN2D
SCHEMBL1795835 0.71 GRIN2D (0.53) GRIN2BGRIN1IDO1SIGMAR1GRIN2D
Hydrochloric Acid SCHEMBL4629266 0.70 GRIN2B (0.72) GRIN2BGRIN1NOS2SIGMAR1GRIN2D

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
WO-2019185586-A1 LIGANDS FOR ENHANCED IMAGING AND DRUG DELIVERY TO NEUROBLASTOMA CELLS UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2019-10-03 WO disclosed
US-9493472-B2 Substituted benzoxazoles BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-15 US disclosed
US-20160137647-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-19 US disclosed
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
EP-1401502-A1 PHARMACEUTICAL FORMULATION AstraZeneca AB (SE) 2004-03-31 EP disclosed
EP-1347955-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROBIN INHIBITORS AstraZeneca AB (SE) 2003-10-01 EP disclosed
WO-2003000293-A1 PHARMACEUTICAL FORMULATION ASTRAZENECA AB (SE) 2003-01-03 WO disclosed
EP-1237559-A1 PHARMACEUTICAL COMBINATIONS AstraZeneca AB (SE) 2002-09-11 EP disclosed
WO-2002044145-A1 NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROBIN INHIBITORS ASTRAZENECA AB (SE) 2002-06-06 WO disclosed
US-6399658-B1 REDUCING DRUG SIDE EFFECT SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2002-06-04 US disclosed
WO-2001039781-A1 PHARMACEUTICAL COMBINATIONS ASTRAZENECA AB (SE) 2001-06-07 WO disclosed
EP-1004304-A1 COMPOSITION CONTAINING ASCORBIC ACID SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-05-31 EP disclosed
EP-0178121-B1 IMPROVED FORMULATION OF ANTIINFLAMMATORY DRUGS PFIZER INC. (US) 1990-06-13 EP disclosed
US-4636498-A OXICAMS, ANTIULCER, ANTISECRETORY 2-GUANIDINO-4-(4-IMIDAZOLYL) THIAZOLES PFIZER INC. (US) 1987-01-13 US disclosed
EP-0178121-A2 Improved formulation of antiinflammatory drugs PFIZER INC. (US) 1986-04-16 EP 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 (2 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-20160137647-A1 SUBSTITUTED BENZOXAZOLES TBXA2R, XDH, CYP4X1 GRIN2B 3369/4885GRIN1 3224/4885NOS2 3916/4885
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES TBXA2R, XDH, CYP4X1 GRIN2B 3369/4885GRIN1 3224/4885NOS2 3916/4885

“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.