SCHEMBL20580625

SCHEMBL20580625

[2H]C([2H])([2H])C(O)(c1ccc2cc(Cl)ccc2n1)C([2H])([2H])[2H]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ BACE1 P56817 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL26167592 0.88 HTR3A (0.43) HTR3AHRH4ALDH1A1PDE3BPDE3A
SCHEMBL22330373 0.78 HTR3A (0.45) HTR3AHRH4ALDH1A1PDE3BPDE3A
SCHEMBL18554706 0.77 TNKS (0.36) HTR3AHRH4ALDH1A1PDE3BPDE3A
SCHEMBL31228686 0.77 TNKS (0.36) HTR3AHRH4ALDH1A1PDE3BPDE3A
SCHEMBL10824101 0.75 HTR3A (0.42) HTR3AHRH4PDE3BPDE3ABACE1
SCHEMBL18463931 0.75 HTR3A (0.43) HTR3AHRH4ALDH1A1PDE3BPDE3A
SCHEMBL25962423 0.74 NT5E (0.45) HTR3AHRH4ALDH1A1PDE3BPDE3A
SCHEMBL30106726 0.74 NT5E (0.45) HTR3AHRH4ALDH1A1PDE3BPDE3A
SCHEMBL8005264 0.69 CYP1A2 (0.55) ALDH1A1PDE3BPDE3ABACE1KDM4E
SCHEMBL2556988 0.68 BACE1 (0.50) ALDH1A1BACE1KDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12240816-B2 Deuterated compounds and uses thereof ALDEYRA THERAPEUTICS, INC. (US) 2025-03-04 — — US disclosed
EP-4400106-A1 DEUTERATED COMPOUNDS AND USES THEREOF Aldeyra Therapeutics, Inc. (US) 2024-07-17 — — EP disclosed
US-20240132451-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS, INC. 2024-04-25 — — US disclosed
EP-3337486-B1 DEUTERATED COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS INC (US) 2024-04-03 — — EP disclosed
US-11845722-B2 Deuterated compounds and uses thereof ALDEYRA THERAPEUTICS, INC. (US) 2023-12-19 — — US disclosed
US-20230174491-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS, INC. 2023-06-08 — — US disclosed
US-11459300-B2 Deuterated compounds and uses thereof ALDEYRA THERAPEUTICS, INC. (US) 2022-10-04 — — US disclosed
US-20210347735-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS, INC. 2021-11-11 — — US disclosed
US-11046650-B2 Deuterated compounds and uses thereof ALDEYRA THERAPEUTICS, INC. (US) 2021-06-29 — — US disclosed
US-20200199075-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS, INC. 2020-06-25 — — US disclosed
US-10550085-B2 Deuterated compounds and uses thereof ALDEYRA THERAPEUTICS, INC. (US) 2020-02-04 — — US disclosed
US-20180354905-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDEYRA THERAPEUTICS, INC. 2018-12-13 — — 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 (10 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-20210347735-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDH1A2, SSB, DBH HTR3A 783/4885HRH4 16/4885ALDH1A1 11/4885
US-10550085-B2 Deuterated compounds and uses thereof ALDH1A2, SSB, DBH HTR3A 783/4885HRH4 16/4885ALDH1A1 11/4885
US-11845722-B2 Deuterated compounds and uses thereof ALDH1A2, SSB, DBH HTR3A 783/4885HRH4 16/4885ALDH1A1 11/4885
US-20200199075-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDH1A2, SSB, DBH HTR3A 783/4885HRH4 16/4885ALDH1A1 11/4885
US-20230174491-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDH1A2, SSB, DBH HTR3A 783/4885HRH4 16/4885ALDH1A1 11/4885
US-12240816-B2 Deuterated compounds and uses thereof ALDH1A2, SSB, DBH HTR3A 783/4885HRH4 16/4885ALDH1A1 11/4885
US-11046650-B2 Deuterated compounds and uses thereof ALDH1A2, SSB, DBH HTR3A 783/4885HRH4 16/4885ALDH1A1 11/4885
US-11459300-B2 Deuterated compounds and uses thereof ALDH1A2, SSB, DBH HTR3A 783/4885HRH4 16/4885ALDH1A1 11/4885
US-20240132451-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDH1A2, SSB, DBH HTR3A 783/4885HRH4 16/4885ALDH1A1 11/4885
US-20180354905-A1 DEUTERATED COMPOUNDS AND USES THEREOF ALDH1A2, SSB, DBH HTR3A 783/4885HRH4 16/4885ALDH1A1 11/4885

“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.

Send feedback