SCHEMBL6512240

SCHEMBL6512240

Cc1c(C)c(C)c([N+](=O)[O-])c([N+](=O)[O-])c1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 7/20 0.41
PKM P14618 1/20 0.38
HSD17B10 Q99714 2/20 0.38
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
IMPDH2 P12268 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 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
SCHEMBL29674859 1.00 TDP1 (0.48) TDP1ALDH1A1TSHRPKMHSD17B10
SCHEMBL13199105 0.93 TDP1 (0.48) TDP1ALDH1A1TSHRPKMHSD17B10
SCHEMBL3816541 0.93 TDP1 (0.48) TDP1ALDH1A1TSHRPKMHSD17B10
SCHEMBL7592620 0.90 TDP1 (0.50) TDP1ALDH1A1TSHRPKMHSD17B10
SCHEMBL15957606 0.90 TDP1 (0.50) TDP1ALDH1A1TSHRPKMHSD17B10
SCHEMBL11041007 0.87 TDP1 (0.48) TDP1ALDH1A1TSHRPKMHSD17B10
SCHEMBL11641139 0.84 TDP1 (0.38) TDP1ALDH1A1TSHRPKMHSD17B10
SCHEMBL9514735 0.83 PKM (0.42) TDP1ALDH1A1TSHRPKMIMPDH2
SCHEMBL4927428 0.83 TDP1 (0.50) TDP1ALDH1A1TSHRPKMHSD17B10
SCHEMBL15357214 0.81 CYP1A2 (0.47) TDP1ALDH1A1TSHRPKMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050148643-A1 Carbamate compositions and methods fo rmodulating the activity of the CHK1 enzyme AGOURON PHARMACEUTICALS, INC. 2005-07-07 US disclosed
US-4186003-A Hybrid fix system incorporating photodegradable polymers XEROX CORPORATION (US) 1980-01-29 US disclosed
US-3986874-A DRIOGRAPHIC IMAGING METHOD XEROX CORPORATION (US) 1976-10-19 US disclosed
US-3964907-A Method for the preparation of relief printing masters XEROX CORPORATION (US) 1976-06-22 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 (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-20050148643-A1 Carbamate compositions and methods fo rmodulating the activity of the CHK1 enzyme CHEK1, CHEK2, RAD1 TDP1 39/4885ALDH1A1 2713/4885TSHR 4092/4885

“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.