SCHEMBL7748676

SCHEMBL7748676

N=C(N)NN=Cc1cccc(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.55
GRIN3B O60391 2/20 0.55
GRIN1 Q05586 2/20 0.55
GRIN2A Q12879 2/20 0.55
GRIN2B Q13224 2/20 0.55
GRIN2C Q14957 2/20 0.55
GRIN3A Q8TCU5 2/20 0.55
POLB P06746 3/20 0.54
CHRM5 P08912 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
GUSB P08236 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAOB P27338 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL7748673 1.00 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL5703049 0.98 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL5703045 0.98 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Acetic Acid SCHEMBL21519499 0.92 NPC1 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6742928 0.88 POLB (0.68) POLBLMNAKMT2AMAOBKDM4E
SCHEMBL20148189 0.88 POLB (0.68) POLBLMNAKMT2AMAOBKDM4E
SCHEMBL6742923 0.88 POLB (0.68) POLBLMNAKMT2AMAOBKDM4E
SCHEMBL16224344 0.87 CHRM5 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL17560969 0.85 CHRM5 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24278570 0.84 POLB (0.78) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO claimed
CN-107709291-B Inhibitors and uses thereof 医疗研究局 2021-03-12 CN disclosed
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 US disclosed
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 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-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 GRIN2D 791/4885GRIN3B 229/4885GRIN1 301/4885

“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.