SCHEMBL23329062

SCHEMBL23329062

CC(C)c1ccc(-c2cnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 1/20 0.44
NOTUM Q6P988 4/20 0.41
NISCH Q9Y2I1 1/20 0.40
HDAC6 Q9UBN7 3/20 0.37
ERBB2 P04626 1/20 0.37
TYR P14679 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.34
PIM1 P11309 1/20 0.34
POLB P06746 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
MAPT P10636 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL13411815 0.83 POLB (0.33) SMN1; SMN2POLB
SCHEMBL5020178 0.78 ASIC3 (0.48) RAB9ANPC1TP53KDM4EHPGD
SCHEMBL5020182 0.78 SMN1; SMN2 (0.46) RAB9ANPC1NOTUMKDM4EHPGD
SCHEMBL25093231 0.77 NPC1 (0.31) RAB9ANPC1NPSR1TP53
SCHEMBL17297777 0.77 MEN1 (0.49) POLBMAPT
SCHEMBL23328989 0.74 LMNA (0.46) NPSR1TYRHPGD
SCHEMBL5020208 0.74 METAP2 (0.39)
SCHEMBL5020203 0.74 POLB (0.48) RAB9ANOTUMHPGDSMN1; SMN2POLB
SCHEMBL17283676 0.74 SCN4A (0.43) RAB9ANPC1SMN1; SMN2POLB
SCHEMBL5020183 0.74 MEN1 (0.46) RAB9ANPC1TP53SMN1; SMN2MAPT

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
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 US disclosed
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 US disclosed
US-20210128532-A1 HETEROCYCLIC CARBOXYLATE COMPOUNDS AS GLYCOLATE OXIDASE INHIBITORS Lilac Therapeutics, Inc. 2021-05-06 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-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors UGDH, PGD, PNPO RAB9A 4019/4885NPC1 4018/4885NPSR1 4285/4885
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R RAB9A 2274/4885NPC1 2999/4885NPSR1 247/4885
US-20210128532-A1 HETEROCYCLIC CARBOXYLATE COMPOUNDS AS GLYCOLATE OXIDASE INHIBITORS UGDH, PGD, PNPO RAB9A 4019/4885NPC1 4018/4885NPSR1 4285/4885

“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.