SCHEMBL29677011

SCHEMBL29677011

C=C1CN(C(=O)C(F)(F)F)CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.51
▸ ESR2 Q92731 4/20 0.51
▸ ABHD6 Q9BV23 3/20 0.46
▸ NOTUM Q6P988 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RIPK1 Q13546 2/20 0.40
▸ PTAFR P25105 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ HDAC3 O15379 1/20 0.38

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
SCHEMBL14282040 1.00 ESR1 (0.51) ESR1ESR2ABHD6NOTUMMAPT
SCHEMBL30263783 0.82 ESR1 (0.68) ESR1ESR2ABHD6NOTUMMAPT
SCHEMBL566389 0.82 ESR1 (0.68) ESR1ESR2ABHD6NOTUMMAPT
SCHEMBL1095848 0.81 ESR1 (0.56) ESR1ESR2NOTUMMEN1KMT2A
SCHEMBL506139 0.80 ESR1 (0.59) ESR1ESR2ABHD6NOTUMMAPT
SCHEMBL14691776 0.78 ESR1 (0.52) ESR1ESR2ABHD6NOTUMMAPT
SCHEMBL1094942 0.78 ESR1 (0.72) ESR1ESR2ABHD6NOTUMMAPT
SCHEMBL28724571 0.78 ESR1 (0.49) ESR1ESR2ABHD6
SCHEMBL13012424 0.77 ESR1 (0.49) ESR1ESR2ABHD6MAPTMEN1
SCHEMBL14494973 0.77 CA12 (0.43) ESR1ESR2NOTUMMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-11-07 — — US disclosed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 — — EP disclosed
CN-114948963-A Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-08-30 — — CN disclosed
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 — — CN 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-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ESR1 1958/4885ESR2 2188/4885ABHD6 3817/4885

“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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