SCHEMBL22198310

SCHEMBL22198310

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.61
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
ATM Q13315 1/20 0.43
APP P05067 2/20 0.41
NPC1 O15118 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
EPHX2 P34913 1/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 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
SCHEMBL22198266 0.88 KIF11 (0.47) KIF11LMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL22198148 0.84 NPC1 (0.54) LMNAALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL22198256 0.84 GRIN2D (0.54) KIF11SMN1; SMN2RAB9AMEN1GAA
SCHEMBL130264 0.82 KIF11 (0.86) KIF11ALDH1A1RAB9AMEN1KMT2A
Iodide SCHEMBL29203651 0.80 KIF11 (0.83) KIF11ALDH1A1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL27956162 0.80 KIF11 (0.83) KIF11ALDH1A1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL27956160 0.80 KIF11 (0.83) KIF11ALDH1A1RAB9AMEN1KMT2A
SCHEMBL22198276 0.79 GRIN2D (0.48) ALDH1A1SMN1; SMN2RAB9AMAPTPKM
SCHEMBL7793264 0.79 NPC1 (0.68) LMNAALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL7793269 0.79 NPC1 (0.68) LMNAALDH1A1SMN1; SMN2RAB9AMEN1

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 KIF11 2495/4885LMNA 1943/4885ALDH1A1 1343/4885

“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.