SCHEMBL18702902

SCHEMBL18702902

CCc1ccc(OCc2ccccc2C)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.49
▸ ACHE P22303 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPT P10636 5/20 0.46
▸ CCNB2 O95067 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ CCNB3 Q8WWL7 1/20 0.45
▸ SLC26A4 O43511 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41

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
SCHEMBL810526 0.85 ALDH1A1 (0.54) MAOBACHEALDH1A1MAPTCCNB2
SCHEMBL18703278 0.79 MAOB (0.54) MAOBACHECCNB2CDK1CDK4
SCHEMBL29502999 0.79 MAOB (0.54) MAOBACHECCNB2CDK1CDK4
SCHEMBL24386572 0.77 MAPT (0.49) ALDH1A1MAPTL3MBTL1LMNANPC1
SCHEMBL25394621 0.76 MAOB (0.59) MAOBALDH1A1MAPTGAAL3MBTL1
SCHEMBL8809408 0.75 ALDH1A1 (0.56) MAOBALDH1A1MAPTGAAL3MBTL1
SCHEMBL3823448 0.75 ALDH1A1 (0.54) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL29502953 0.73 MAPT (0.65) MAOBMAPTL3MBTL1NPC1RAB9A
SCHEMBL1240906 0.73 MAPT (0.65) MAOBMAPTL3MBTL1NPC1RAB9A
SCHEMBL11110184 0.73 MEN1 (0.50) MAOBMAPTL3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2022-07-21 — — US disclosed
US-11136313-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2021-10-05 — — US disclosed
EP-3359536-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2021-08-04 — — EP disclosed
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2020-12-10 — — US disclosed
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-02-04 — — US disclosed
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2018-10-11 — — US disclosed
WO-2017062581-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-04-13 — — WO 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 (5 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-11136313-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G MAOB 4409/4885ACHE 3377/4885ALDH1A1 3790/4885
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G MAOB 4409/4885ACHE 3377/4885ALDH1A1 3790/4885
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G MAOB 4409/4885ACHE 3377/4885ALDH1A1 3790/4885
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G MAOB 4409/4885ACHE 3377/4885ALDH1A1 3790/4885
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G MAOB 4409/4885ACHE 3377/4885ALDH1A1 3790/4885

“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.

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