SCHEMBL22689327

SCHEMBL22689327

C[Si](C)(C)CCOC(=O)c1ccc(N)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ POLB P06746 3/20 0.35
▸ HPGD P15428 2/20 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
▸ MEN1 O00255 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34

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
SCHEMBL1731610 0.83 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL1731209 0.83 ALDH1A1 (0.51) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL5023778 0.78 HDAC3 (0.58) ALDH1A1CYP3A4MAPTHDAC3HDAC4
SCHEMBL222763 0.72 NPSR1 (0.56) ALDH1A1MAPTHPGDCASP3SENP8
SCHEMBL5026020 0.71 ALDH1A1 (0.51) ALDH1A1CYP3A4MAPTPKMHDAC3
Hydrochloric Acid SCHEMBL7339403 0.71 NPSR1 (0.55) ALDH1A1MAPTHPGDCASP3SENP8
SCHEMBL24343448 0.70 TDP1 (0.54) ALDH1A1MAPTHPGDKMT2ATDP1
SCHEMBL8549907 0.69 ALDH1A1 (0.57) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL17900427 0.68 GRM6 (0.43) ALDH1A1MAPTHDAC3HDAC4HDAC1
SCHEMBL24086712 0.68 SMN1; SMN2 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT

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-20240158390-A1 OTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV JANSSEN SCIENCES IRELAND UNLMITED COMPANY (IE) 2024-05-16 — — US disclosed
EP-3972964-A1 OTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2022-03-30 — — EP disclosed
WO-2020234333-A1 OTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2020-11-26 — — WO disclosed
WO-2020234333-A1 OTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2020-11-26 — — 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-20240158390-A1 OTHER HETEROAROMATIC COMPOUNDS HAVING ACTIVITY AGAINST RSV MAVS, ZC3HAV1, RNASEH1 ALDH1A1 1533/4885CYP3A4 69/4885CYP2C9 841/4885

“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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