SCHEMBL12010979

SCHEMBL12010979

Fc1ccc(/C=N/N=C/c2ccc(F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.64
GRIN3B O60391 3/20 0.64
GRIN1 Q05586 3/20 0.64
GRIN2A Q12879 3/20 0.64
GRIN2B Q13224 3/20 0.64
GRIN2C Q14957 3/20 0.64
GRIN3A Q8TCU5 3/20 0.64
NPC1 O15118 5/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
THPO P40225 1/20 0.52

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
SCHEMBL11742077 1.00 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7793321 0.88 NPC1 (0.77) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7793323 0.88 NPC1 (0.77) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3359944 0.88 ALDH1A1 (0.77) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3359946 0.88 ALDH1A1 (0.77) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12087180 0.82 LMNA (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7792580 0.82 NFE2L2 (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22198276 0.82 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22198245 0.82 APP (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7792584 0.82 NFE2L2 (0.68) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210393810-A1 DIHYDRAZONE COMPOUNDS HAVING HIGH AFFINITY TO A BETA PROTEIN AND TAU PROTEIN, DERIVATIVES THEREOF AND USE THEREOF HTA Co., Ltd. (CN) 2021-12-23 US disclosed
WO-2020140924-A1 DIHYDRAZONE COMPOUNDS HAVING HIGH AFFINITY TO AΒ PROTEIN AND TAU PROTEIN, DERIVATIVES THEREOF AND USE THEREOF 原子高科股份有限公司 2020-07-09 WO disclosed
US-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 US disclosed
US-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 US disclosed
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-02-25 US disclosed
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-02-25 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 (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-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto MMP8, SLC11A2, NFKBIA GRIN2D 4860/4885GRIN3B 3663/4885GRIN1 3838/4885
US-20210393810-A1 DIHYDRAZONE COMPOUNDS HAVING HIGH AFFINITY TO A BETA PROTEIN AND TAU PROTEIN, DERIVATIVES THEREOF AND USE THEREOF MAPT, APP, PSEN1 GRIN2D 2002/4885GRIN3B 2008/4885GRIN1 2112/4885

“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.