SCHEMBL9913657

SCHEMBL9913657

[C-]#[N+]c1ccc(C(O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
LSS P48449 1/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
BRD4 O60885 1/20 0.37
CYP19A1 P11511 7/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP3 P08254 1/20 0.35
ENPP2 Q13822 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2A6 P11509 1/20 0.34
GSK3B P49841 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
SCHEMBL13403830 0.85 CYP19A1 (0.52) CA2CA12CA3CA6CA9
SCHEMBL324969 0.84 CA2 (0.46) CA2CA12CA3CA6CA9
SCHEMBL691258 0.84 CA2 (0.52) CA2CA12CA3CA6CA9
SCHEMBL9913656 0.81 GSK3B (0.38) CA2CA12CA3CA6CA9
SCHEMBL9913659 0.81 CYP2A6 (0.39) CA2CA12CA3CA6CA9
SCHEMBL9913645 0.81 CYP19A1 (0.37) CA2CA12CA3CA6CA9
SCHEMBL23541336 0.78 BRD4 (0.48) CA2CA12CA3CA6CA9
SCHEMBL10300064 0.78 CA2 (0.41) CA2CA12CA3CA6CA9
SCHEMBL8974055 0.78 MMP3 (0.52) CA2CA12CA3CA6CA9
SCHEMBL8773276 0.78 MMP3 (0.52) CA2CA12CA3CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198460-B2 Process for preparation of letrozole and its intermediates FRESENIUS KABI ONCOLOGY LTD. (IN) 2012-06-12 US disclosed
US-20100234617-A1 PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES FRESENIUS KABI ONCOLOGY LTD. (IN) 2010-09-16 US disclosed
US-7538230-B2 Letrozole production process CHEMAGIS LTD. (IL) 2009-05-26 US disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
US-20070112202-A1 Letrozole production process CHEMAGIS LTD. (IL) 2007-05-17 US disclosed
US-20070100149-A1 PROCESS FOR PREPARING LETROZOLE DR. REDDY'S LABORATORIES, INC. 2007-05-03 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 (3 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-20070100149-A1 PROCESS FOR PREPARING LETROZOLE CYP19A1, CYP2C19, CYP17A1 CA2 4386/4885CA12 3483/4885CA3 3558/4885
US-20100234617-A1 PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES CYP19A1, CYP4B1, CYP3A4 CA2 2093/4885CA12 2865/4885CA3 1274/4885
US-20070112202-A1 Letrozole production process CYP19A1, CDK14, CDK19 CA2 2012/4885CA12 2467/4885CA3 653/4885

“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.