SCHEMBL3787538

SCHEMBL3787538

CC(C)(C)[SiH2]OC(C)(C)[C@@H]1Cc2cccc3ncc(=O)n1c23

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 4/20 0.33
CYP2C19 P33261 3/20 0.33
USP2 O75604 2/20 0.33
GLA P06280 1/20 0.33
CYP2C9 P11712 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL3408402 0.71 HTR1A (0.46) HTR1AALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL3790736 0.69 HTR1A (0.47) HTR1AALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL3427271 0.68 HTR1A (0.46) HTR1AALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL7353199 0.61 HTR1A (0.72) HTR1ADRD2DRD3
SCHEMBL2294822 0.58 HTR1A (0.41) HTR1AALDH1A1KDM4E
SCHEMBL7381621 0.57 HTR1A (1.00) HTR1ADRD2DRD3
SCHEMBL11970805 0.55
SCHEMBL5775044 0.54 ALDH1A1 (0.38) HTR1AALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL20687538 0.54 CYP1A2 (0.35) HTR1AALDH1A1CYP1A2CYP2C19USP2
SCHEMBL1723036 0.54 HCRTR1 (0.43) ALDH1A1SMN1; SMN2

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-2257551-B1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-10 EP disclosed
US-8349828-B2 Azatricyclic antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 US disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 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 (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-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 HTR1A 1449/4885ALDH1A1 1608/4885KDM4E 1452/4885

“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.