SCHEMBL5022111

SCHEMBL5022111

Cc1cccc([C@@H](C)I)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.50
ACP3 P15309 1/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
AOC3 Q16853 1/20 0.41
EPHX1 P07099 1/20 0.39
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP19A1 P11511 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL7329842 1.00 ACHE (0.50) ACHEACP3ALDH1A1MAPK1AOC3
SCHEMBL22288271 0.85 HDAC4 (0.37) ALDH1A1MAPK1TP53TDP1TAAR1
SCHEMBL28851257 0.83 ACHE (0.52) ACHEACP3ALDH1A1MAPK1AOC3
SCHEMBL29352930 0.80 ACHE (0.55) ACHEACP3ALDH1A1MAPK1AOC3
SCHEMBL99347 0.80 ACHE (0.55) ACHEACP3ALDH1A1MAPK1AOC3
SCHEMBL10797679 0.80 ACHE (0.55) ACHEACP3ALDH1A1MAPK1AOC3
SCHEMBL29378635 0.80 ACHE (0.55) ACHEACP3ALDH1A1MAPK1AOC3
SCHEMBL931982 0.80 ACHE (0.55) ACHEACP3ALDH1A1MAPK1AOC3
SCHEMBL5490186 0.80 ACHE (0.55) ACHEACP3ALDH1A1MAPK1AOC3
SCHEMBL23183184 0.79 ACHE (0.48) ACHEACP3ALDH1A1MAPK1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
EP-2638014-B1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF ROR-GAMMA ACTIVITY AND THE TREATMENT OF DISEASES LYCERA CORP (US) 2017-01-04 EP disclosed
WO-2012064744-A2 TETRAHYDROQUINOLINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORϒ ACTIVITY AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2012-05-18 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 (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-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ACHE 4764/4885ACP3 3771/4885ALDH1A1 1601/4885

“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.