SCHEMBL21654290

SCHEMBL21654290

CC(C)(C)/C=C/c1cc(Br)cs1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ KCNA3 P22001 1/20 0.32
▸ MEN1 O00255 2/20 0.30
▸ NPC1 O15118 2/20 0.30
▸ GAA P10253 2/20 0.30
▸ RAB9A P51151 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ CES2 O00748 1/20 0.30
▸ CES1 P23141 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21654295 0.81 POLB (0.31) MAPTSMN1; SMN2POLBSTAT3
SCHEMBL2491542 0.79 NPC1 (0.40) MAPTSMN1; SMN2POLBSTAT3LMNA
SCHEMBL2491537 0.79 NPC1 (0.40) MAPTSMN1; SMN2POLBSTAT3LMNA
SCHEMBL21654051 0.79 DAO (0.32) —
SCHEMBL30014359 0.77 — —
SCHEMBL12877449 0.76 — —
SCHEMBL2600074 0.73 HDAC6 (0.39) MAPTSMN1; SMN2LMNAMEN1NPC1
SCHEMBL14604972 0.71 MAPT (0.33) MAPTSMN1; SMN2POLBSTAT3LMNA
SCHEMBL4371554 0.70 — —
SCHEMBL21654139 0.70 KCNH2 (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10993938-B2 Lactam compound, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-05-04 — — US disclosed
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof OCEAN UNIVERSITY OF CHINA (CN) 2020-01-30 — — 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-20200030312-A1 Lactam Compound, Preparation Method and Use thereof FURIN, PEPD, PIN1 MAPT 16/4885SMN1; SMN2 1122/4885POLB 1078/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 MAPT 16/4885SMN1; SMN2 1122/4885POLB 1078/4885

“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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