SCHEMBL7062445

SCHEMBL7062445

CC(C)C(C)(C)[SiH2]Oc1ccc2cccc(I)c2c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.31
NQO2 P16083 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL3182558 0.72 SMN1; SMN2 (0.37) HTR1DHTR1B
SCHEMBL9037894 0.72 CYP1A2 (0.55) MTNR1ANQO2HTR2A
SCHEMBL30533124 0.72 CYP1A2 (0.55) MTNR1ANQO2HTR2A
SCHEMBL6417161 0.71 HTR2A (0.35) MTNR1ANQO2HTR1AHTR1DHTR1B
SCHEMBL3170986 0.70 MAOB (0.38) SLC6A4SLC6A3
SCHEMBL7062446 0.70 CA12 (0.48) MTNR1AHTR1AHTR1DHTR1BHTR2A
SCHEMBL10567792 0.69 MAOA (0.41) SLC6A4SLC6A3
SCHEMBL7719268 0.68 RIPK1 (0.38) SLC6A3
SCHEMBL7510848 0.66 TDP1 (0.37)
SCHEMBL8693732 0.65 TDP1 (0.43)

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
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 US disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 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-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 MTNR1A 2600/4885NQO2 1123/4885HTR1A 2406/4885

“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.