SCHEMBL22198148

SCHEMBL22198148

CNc1ccc(/C=N/N=C/c2ccc(NC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ APP P05067 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KCNH2 Q12809 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ GRIN2D O15399 3/20 0.39
▸ GRIN3B O60391 3/20 0.39
▸ GRIN1 Q05586 3/20 0.39
▸ GRIN2A Q12879 3/20 0.39
▸ GRIN2B Q13224 3/20 0.39
▸ GRIN2C Q14957 3/20 0.39
▸ GRIN3A Q8TCU5 3/20 0.39

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
SCHEMBL22198250 0.91 NPC1 (0.71) NPC1RAB9ASMN1; SMN2APPALDH1A1
SCHEMBL22198286 0.91 LMNA (0.62) NPC1RAB9ASMN1; SMN2APPALDH1A1
SCHEMBL22198265 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2APPALDH1A1
SCHEMBL22198267 0.89 ALDH1A1 (0.68) NPC1RAB9ASMN1; SMN2APPALDH1A1
SCHEMBL22198264 0.89 APP (0.45) NPC1RAB9ASMN1; SMN2APPALDH1A1
SCHEMBL22198268 0.89 GRIN2D (0.48) NPC1RAB9ASMN1; SMN2APPALDH1A1
SCHEMBL22198276 0.89 GRIN2D (0.48) NPC1RAB9ASMN1; SMN2APPALDH1A1
SCHEMBL24117207 0.88 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2APPALDH1A1
SCHEMBL22198299 0.86 GRIN2D (0.54) NPC1RAB9ASMN1; SMN2APPALDH1A1
SCHEMBL22198256 0.86 GRIN2D (0.54) NPC1RAB9ASMN1; SMN2APPMAPT

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 2 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

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-20210393810-A1 DIHYDRAZONE COMPOUNDS HAVING HIGH AFFINITY TO A BETA PROTEIN AND TAU PROTEIN, DERIVATIVES THEREOF AND USE THEREOF MAPT, APP, PSEN1 NPC1 2250/4885RAB9A 2536/4885SMN1; SMN2 2538/4885

“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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