SCHEMBL20720156

SCHEMBL20720156

COc1cccc(C(C)(C)NC(=O)C(N)CO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KIF11 P52732 2/20 0.42
MAPK1 P28482 3/20 0.41
ROCK2 O75116 1/20 0.40
ALPL P05186 1/20 0.40
GLA P06280 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
MTNR1B P49286 4/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
STAT1 P42224 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39

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
SCHEMBL20720155 1.00 ALDH1A1 (0.42) ALDH1A1KIF11MAPK1ROCK2ALPL
SCHEMBL30226117 1.00 ALDH1A1 (0.42) ALDH1A1KIF11MAPK1ROCK2ALPL
SCHEMBL18794456 0.83 KIF11 (0.44) ALDH1A1KIF11ALPIALPGLMNA
SCHEMBL29339261 0.79 CYP1A2 (0.46) ALDH1A1KIF11MAPK1ROCK2NPC1
SCHEMBL14519898 0.78 ALDH1A1 (0.51) ALDH1A1MAPK1ROCK2ALPLGLA
SCHEMBL5743082 0.78 ALDH1A1 (0.48) ALDH1A1MAPK1ROCK2ALPLGLA
SCHEMBL29675690 0.78 ALDH1A1 (0.51) ALDH1A1MAPK1ROCK2ALPLGLA
SCHEMBL29675790 0.77 MTNR1A (0.50) ALDH1A1MAPK1MTNR1BNPC1LMNA
SCHEMBL2308107 0.76 ALDH1A1 (0.59) ALDH1A1MTNR1BNPC1LMNARAB9A
SCHEMBL23309850 0.74 GPR88 (0.54) ALDH1A1MAPK1ROCK2MTNR1BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
US-11939321-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-03-26 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 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 (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-11939321-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ALDH1A1 1598/4885KIF11 2463/4885MAPK1 1/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ALDH1A1 1598/4885KIF11 2463/4885MAPK1 1/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ALDH1A1 1598/4885KIF11 2463/4885MAPK1 1/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ALDH1A1 1601/4885KIF11 2627/4885MAPK1 1/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ALDH1A1 1598/4885KIF11 2463/4885MAPK1 1/4885

“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.