SCHEMBL2946530

SCHEMBL2946530

N#CCCCCn1ccnc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.67
CYP19A1 P11511 1/20 0.47

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
SCHEMBL11223045 0.98 TBXAS1 (0.70) TBXAS1
SCHEMBL2376103 0.98 TBXAS1 (0.70) TBXAS1
SCHEMBL5858630 0.94 TBXAS1 (0.63) TBXAS1CYP19A1
Hydrochloric Acid SCHEMBL17746653 0.92 TBXAS1 (0.61) TBXAS1CYP19A1
SCHEMBL31088167 0.84 TBXAS1 (0.54) TBXAS1CYP19A1
SCHEMBL937596 0.83 TBXAS1 (0.95) TBXAS1
SCHEMBL10247600 0.81 TBXAS1 (1.00) TBXAS1
SCHEMBL2535103 0.81 TBXAS1 (1.00) TBXAS1
SCHEMBL1679410 0.81 TBXAS1 (1.00) TBXAS1
SCHEMBL285054 0.81 TBXAS1 (1.00) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
EP-2139354-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-01-06 EP disclosed
WO-2008116339-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-10-02 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-20100113460-A1 Organic Compounds CYP2B6, CYP2A6, CYP2A13 TBXAS1 406/4885CYP19A1 57/4885

“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.