SCHEMBL11805102

SCHEMBL11805102

CSc1ccc(C(O)CNC(C)C)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 5/20 0.56
▸ TSHR P16473 5/20 0.56
▸ MAPT P10636 4/20 0.56
▸ ADRB1 P08588 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ HIF1A Q16665 3/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ ADRB3 P13945 2/20 0.56
▸ MTOR P42345 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ ADRA1A P35348 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ NFKB1 P19838 1/20 0.56

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
Hydrochloric Acid SCHEMBL11810811 0.98 ADRB2 (0.57) ADRB2TSHRMAPTADRB1KDM4E
Oxalic Acid SCHEMBL11816918 0.93 MAPT (0.52) ADRB2TSHRMAPTADRB1KDM4E
Lactic Acid SCHEMBL11809840 0.92 MAPT (0.54) ADRB2TSHRMAPTADRB1KDM4E
Hydrochloric Acid SCHEMBL11806256 0.87 ADRB2 (0.44) ADRB2TSHRMAPTADRB1KDM4E
SCHEMBL11809441 0.87 ADRB2 (0.42) ADRB2TSHRMAPTADRB1KDM4E
Hydrochloric Acid SCHEMBL11810810 0.86 ADRB2 (0.43) ADRB2TSHRMAPTADRB1KDM4E
SCHEMBL11807914 0.84 ADRB2 (0.57) ADRB2TSHRMAPTADRB1KDM4E
SCHEMBL11804077 0.84 ADRB2 (0.55) ADRB2TSHRMAPTADRB1KDM4E
Gluconic Acid SCHEMBL11806325 0.83 MAPT (0.51) ADRB2TSHRMAPTADRB1KDM4E
Hydrochloric Acid SCHEMBL11812398 0.82 ADRB2 (0.56) ADRB2TSHRMAPTADRB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3954871-A ANTIARRHYTHMIA, VASODILATOR, HYPOTENSIVE CONTINENTAL PHARMA (BE) 1976-05-04 — — US claimed
US-11931366-B2 Compositions and methods of use thereof for treatment of proteinopathies WASHINGTON UNIVERSITY (US) 2024-03-19 — — US disclosed
US-20210228591-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATMENT OF PROTEINOPATHIES WASHINGTON UNIVERSITY 2021-07-29 — — US disclosed
WO-2019204764-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATMENT OF PROTEINOPATHIES WASHINGTON UNIVERSITY (US) 2019-10-24 — — WO disclosed
US-3954871-A ANTIARRHYTHMIA, VASODILATOR, HYPOTENSIVE CONTINENTAL PHARMA (BE) 1976-05-04 — — US disclosed
US-3954851-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-05-04 — — 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 (2 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-11931366-B2 Compositions and methods of use thereof for treatment of proteinopathies SERPINA2, FABP1, TTR ADRB2 4160/4885TSHR 4106/4885MAPT 142/4885
US-20210228591-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATMENT OF PROTEINOPATHIES SERPINA2, FABP1, TTR ADRB2 4160/4885TSHR 4106/4885MAPT 142/4885

“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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