SCHEMBL22929403

SCHEMBL22929403

CC(C)(C)[Si](OCC1(COC(=O)c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
SCN1A P35498 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
TSHR P16473 2/20 0.38
ABL1 P00519 1/20 0.37
KMT2A Q03164 2/20 0.37
SLC6A2 P23975 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9269862 0.81 TDP1 (0.55) MAPK1HIF1ALMNATDP1SLC6A3
SCHEMBL4127698 0.80 SMYD2 (0.35) ABL1SMN1; SMN2CYP3A4HTT
SCHEMBL2912786 0.80 SMYD2 (0.38) LMNAABL1KMT2ASMN1; SMN2CYP3A4
SCHEMBL17080492 0.79 CYP3A4 (0.39) TSHRABL1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL29583645 0.78 SMYD2 (0.36) ABL1KMT2ASMN1; SMN2CYP3A4HTT
SCHEMBL17080491 0.78 CYP3A4 (0.40) HIF1AABL1SMN1; SMN2CYP3A4HTT
SCHEMBL29235511 0.78 SMYD2 (0.34) ABL1SMN1; SMN2CYP3A4HTT
SCHEMBL29654456 0.78 SMYD2 (0.36) ABL1SMN1; SMN2CYP3A4HTT
SCHEMBL4121310 0.77 SMYD2 (0.35) ABL1SMN1; SMN2CYP3A4HTT
SCHEMBL20446429 0.77 SMYD2 (0.35) ABL1SMN1; SMN2CYP3A4HTT

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
CN-110088108-B Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors 联合疗法公司 2024-06-14 CN disclosed
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP disclosed
US-10906915-B2 Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2021-02-02 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 (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-10906915-B2 Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors PDE4A, PDE4B, PDE12 MAPK1 2444/4885HIF1A 4044/4885LMNA 3675/4885

“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.