SCHEMBL2955866

SCHEMBL2955866

CC[n+]1cccc(-c2ccc([N+](=O)[O-])c(OC)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.46
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABCB1 P08183 4/20 0.43
LMNA P02545 1/20 0.40
ABCC1 P33527 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39

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
SCHEMBL12428994 0.90 CHEK1 (0.45) CHEK1ALDH1A1TDP1ABCB1LMNA
Iodide SCHEMBL2203284 0.89 ABCB1 (0.46) CHEK1ALDH1A1TDP1ABCB1LMNA
SCHEMBL12428999 0.86 CHEK1 (0.43) CHEK1ALDH1A1TDP1ABCB1LMNA
Iodide SCHEMBL310215 0.86 CHEK1 (0.43) CHEK1ALDH1A1TDP1ABCB1LMNA
Bromide SCHEMBL2205235 0.85 CHEK1 (0.43) CHEK1ALDH1A1TDP1ABCB1LMNA
SCHEMBL12429002 0.81 ABCB1 (0.46) ALDH1A1TDP1ABCB1LMNAABCC1
Iodide SCHEMBL2207995 0.80 ABCB1 (0.48) ALDH1A1TDP1ABCB1LMNAABCC1
SCHEMBL11224598 0.79 CHEK1 (0.61) CHEK1ALDH1A1TDP1ABCB1LMNA
SCHEMBL4765839 0.78 CYP3A4 (0.43) ALDH1A1TDP1LMNA
SCHEMBL10266656 0.78 CHEK1 (0.47) CHEK1ALDH1A1TDP1ABCB1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 CHEK1 2783/4885ALDH1A1 238/4885TDP1 2000/4885

“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.