SCHEMBL9913658

SCHEMBL9913658

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CYP2A6 P11509 1/20 0.39
KMT2A Q03164 2/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35
HCRTR2 O43614 1/20 0.34
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
RORC P51449 1/20 0.33
IDO1 P14902 1/20 0.33
PRKDC P78527 1/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
CA12 O43570 2/20 0.33

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
SCHEMBL5441065 0.90 ALDH1A1 (0.48) ALDH1A1BCHEACHECYP2A6KMT2A
SCHEMBL2234029 0.71 CA2 (0.54) ALDH1A1BCHEACHECYP2A6KMT2A
SCHEMBL22558332 0.71 CA2 (0.54) ALDH1A1BCHEACHECYP2A6KMT2A
SCHEMBL6762680 0.71 VDR (0.46) ALDH1A1HTTCA1CA2CA9
SCHEMBL13310619 0.70 CYP2A6 (0.55) ALDH1A1BCHEACHECYP2A6FNTA
SCHEMBL5435637 0.69 CA1 (0.42) ALDH1A1CYP2A6HTTMAPTCA1
SCHEMBL9913659 0.69 CYP2A6 (0.39) ALDH1A1CYP2A6HTTMAPTCA2
SCHEMBL10888194 0.69 MAPT (0.49) ALDH1A1KMT2AMEN1MAPTCA2
SCHEMBL13403830 0.69 CYP19A1 (0.52) ALDH1A1CYP2A6HTTMAPTCA1
SCHEMBL5444282 0.69 CASP6 (0.40) ALDH1A1CYP2A6KMT2APRSS1MEN1

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
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-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 (2 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 ALDH1A1 2364/4885BCHE 3393/4885ACHE 4442/4885
US-20100234617-A1 PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES CYP19A1, CYP4B1, CYP3A4 ALDH1A1 517/4885BCHE 851/4885ACHE 1646/4885

“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.