SCHEMBL25134014

SCHEMBL25134014

COC(OC)C1CCN(c2ccc(C=O)c(Br)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PRKDC P78527 2/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
LGMN Q99538 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL29927711 1.00 ALDH1A1 (0.47) ALDH1A1PRKDCPOLBNPC1RAB9A
SCHEMBL24319781 0.86 ALDH1A1 (0.43) ALDH1A1PRKDCPOLBNPC1RAB9A
SCHEMBL25930430 0.83 ALDH1A1 (0.43) ALDH1A1PRKDCPOLBNPC1RAB9A
SCHEMBL26648895 0.82 ALDH1A1 (0.42) ALDH1A1PRKDCPOLBNPC1RAB9A
SCHEMBL24847849 0.80 DPP4 (0.38) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL24320368 0.79 ALDH1A1 (0.40) ALDH1A1PRKDCPOLBNPC1RAB9A
SCHEMBL30769237 0.78 GAA (0.39) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL24319603 0.77 SIRT6 (0.41) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL20211889 0.77 DPP4 (0.36) LMNAMEN1KMT2AMAPTLGMN
SCHEMBL29683460 0.77 DPP4 (0.36) LMNAMEN1KMT2AMAPTLGMN

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
CN-117321046-A Indazole-based compounds and related methods of use 阿维纳斯企业公司 2023-12-29 CN disclosed
US-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2023-03-30 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 (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-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE LRRK2, CRBN, MDM2 ALDH1A1 3531/4885PRKDC 421/4885POLB 3660/4885

“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.