SCHEMBL23328982

SCHEMBL23328982

Cc1nn[nH]c1-c1ccc(C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NOTUM Q6P988 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
HTT P42858 2/20 0.37
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
ERBB2 P04626 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GCGR P47871 1/20 0.35
KIF11 P52732 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL16478914 0.81 ALDH1A1 (0.39) RAB9ANPC1TP53SMN1; SMN2KDM4E
SCHEMBL16473172 0.80 LMNA (0.38) RAB9ANPC1NOTUMSMN1; SMN2HPGD
SCHEMBL14307558 0.77 MAPK14 (0.40) RAB9ANPC1KDM4EMAPK13MAPK12
SCHEMBL23329192 0.74 NISCH (0.39) RAB9ANPC1KDM4ENISCHMAPK13
SCHEMBL27034774 0.73 BRD4 (0.44) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL27420818 0.70 RAB9A (0.40) RAB9ANPC1TP53NPSR1NOTUM
SCHEMBL2627809 0.68 RAB9A (0.49) RAB9ANPC1TP53NPSR1NOTUM
SCHEMBL197335 0.67 KIF11 (0.52) RAB9ANPC1TP53NPSR1NOTUM
SCHEMBL24912795 0.67 AKT2 (0.61) RAB9ANPC1TP53NPSR1NOTUM
SCHEMBL17969081 0.66 ERBB2 (0.53) RAB9ANPC1TP53NPSR1NOTUM

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 4018/4885TP53 3342/4885
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R RAB9A 2274/4885NPC1 2999/4885TP53 3540/4885
US-20210128532-A1 HETEROCYCLIC CARBOXYLATE COMPOUNDS AS GLYCOLATE OXIDASE INHIBITORS UGDH, PGD, PNPO RAB9A 4019/4885NPC1 4018/4885TP53 3342/4885

“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.