SCHEMBL6845644

SCHEMBL6845644

O/N=C/c1ccc2[nH]ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.62
▸ GRIN3B O60391 1/20 0.62
▸ GRIN1 Q05586 1/20 0.62
▸ GRIN2A Q12879 1/20 0.62
▸ GRIN2B Q13224 1/20 0.62
▸ GRIN2C Q14957 1/20 0.62
▸ GRIN3A Q8TCU5 1/20 0.62
▸ CYP2A6 P11509 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ USP2 O75604 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ RAD51 Q06609 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ FAAH O00519 1/20 0.49
▸ MAPT P10636 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49

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
SCHEMBL6845647 1.00 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1420405 0.85 CYP2A6 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1420406 0.85 CYP2A6 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15928034 0.85 GRIN2D (0.71) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13263864 0.81 CYP2A6 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28202524 0.78 CYP2A6 (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Cyanide SCHEMBL22130248 0.77 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19449705 0.77 FAAH (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL17560835 0.76 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17044457 0.75 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 — — WO disclosed
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 — — US disclosed
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 — — US disclosed
WO-2009091388-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2009-07-23 — — WO disclosed
EP-1330457-B1 CYCLOPENTA[B][1,4] DIAZEPINO[6,7,1-HI]INDOLES AS 5HT2C ANTAGONISTS WYETH CORP (US) 2004-10-20 — — 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 (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-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof HAVCR2, ZC3HAV1, MAVS GRIN2D 4811/4885GRIN3B 4625/4885GRIN1 3690/4885

“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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