SCHEMBL5465671

SCHEMBL5465671

O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)[se]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SRD5A2 P31213 2/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
CES1 P23141 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41

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
SCHEMBL9470575 0.79 LTA4H (0.44) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL5463780 0.74 PGR (0.54) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10723714 0.73 SRD5A2 (0.83) TDP1ALDH1A1MAPTSRD5A2LMNA
SCHEMBL975118 0.73 SRD5A2 (0.83) TDP1ALDH1A1MAPTSRD5A2LMNA
SCHEMBL9470246 0.72 MAP2K1 (0.47) ALDH1A1GAATSHR
SCHEMBL413193 0.70 SRD5A2 (0.65) TDP1ALDH1A1MAPTSRD5A2LMNA
SCHEMBL28914440 0.69 MAPK1 (0.85) TDP1ALDH1A1MAPTSRD5A2LMNA
SCHEMBL6746532 0.68 TDP1 (0.63) TDP1ALDH1A1MAPTSRD5A2LMNA
SCHEMBL3234327 0.68 CES2 (0.68) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9469937 0.68 ALDH1A1 (0.44) TDP1ALDH1A1MAPTMEN1KMT2A

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-20070054899-A1 Aromatase inhibitor compounds and uses thereof PARALLEL WIRELESS, INC. 2007-03-08 US disclosed
EP-1678170-A1 USE OF A COMPOUND OF FORMULA (I) AS AN INHIBITOR OF AROMATASE FOR THERAPEUTIC PURPOSES AND COMPOUNDS OF FORMULA (1) THEREAS Yang Ji Chemical Company Ltd. (KR) 2006-07-12 EP disclosed
WO-2005033104-A1 USE OF A COMPOUND OF FORMULA (I) AS AN INHIBITOR OF AROMATASE FOR THERAPEUTIC PURPOSES AND COMPOUNDS OF FORMULA (1) THEREAS YANG JI CHEMICAL COMPANY, LTD (KR) 2005-04-14 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-20070054899-A1 Aromatase inhibitor compounds and uses thereof CYP19A1, CYP17A1, HSD17B11 TDP1 1407/4885ALDH1A1 207/4885MAPT 1414/4885

“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.