SCHEMBL29993395

SCHEMBL29993395

Nc1ncc(-c2ccccc2F)s1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LIMK1 P53667 1/20 0.51
MPL P40238 1/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
FEN1 P39748 5/20 0.45
ALOX5AP P20292 4/20 0.45
MAPK14 Q16539 3/20 0.43
TGFBR1 P36897 1/20 0.40
CSNK2A1 P68400 1/20 0.40
BACE1 P56817 2/20 0.39
IDO1 P14902 1/20 0.37

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
SCHEMBL2404342 1.00 ALDH1A1 (0.53) ALDH1A1KDM4ELIMK1MPLNPC1
SCHEMBL11953304 0.81 LIMK1 (0.54) ALDH1A1KDM4ELIMK1NPC1MAPT
SCHEMBL25375220 0.79 LIMK1 (0.56) ALDH1A1KDM4ELIMK1NPC1MAPT
SCHEMBL30482474 0.79 LIMK1 (0.56) ALDH1A1KDM4ELIMK1NPC1MAPT
SCHEMBL15641400 0.79 CLK1 (0.43) ALDH1A1KDM4ELIMK1NPC1MAPT
SCHEMBL19981533 0.78 LIMK1 (0.55) ALDH1A1KDM4ELIMK1NPC1MAPT
SCHEMBL30513213 0.78 LIMK1 (0.72) ALDH1A1KDM4ELIMK1NPC1MAPT
SCHEMBL5536337 0.78 CASR (0.42) ALDH1A1KDM4EMPLNPC1FEN1
SCHEMBL38544 0.78 LIMK1 (0.72) ALDH1A1KDM4ELIMK1NPC1MAPT
SCHEMBL5536331 0.78 KDM4E (0.41) ALDH1A1KDM4EMPLNPC1FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993595-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2024-05-28 US disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
US-11472798-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2022-10-18 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 (3 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-11472798-B2 Compounds UCHL1, UCHL3, UCHL5 ALDH1A1 300/4885KDM4E 175/4885LIMK1 3707/4885
US-11993595-B2 Compounds UCHL1, UCHL3, UCHL5 ALDH1A1 300/4885KDM4E 175/4885LIMK1 3707/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 ALDH1A1 285/4885KDM4E 178/4885LIMK1 3861/4885

“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.