SCHEMBL7086897

SCHEMBL7086897

O=C(O)c1cccc([N+](=O)[O-])c1Cl.O=C(c1cccc([N+](=O)[O-])c1Cl)n1cccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DNA2 P51530 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.38
GPR35 Q9HC97 1/20 0.38
SLC25A1 P53007 1/20 0.38
DHODH Q02127 1/20 0.37

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
SCHEMBL5669408 0.94 TSHR (0.44) TSHRTDP1L3MBTL1ALDH1A1MEN1
SCHEMBL309038 0.87 TSHR (0.64) TSHRTDP1L3MBTL1DNA2CASP6
SCHEMBL27827942 0.85 TSHR (0.62) TSHRTDP1L3MBTL1DNA2CASP6
SCHEMBL27287737 0.75 TSHR (0.57) TSHRTDP1L3MBTL1DNA2CASP6
SCHEMBL1767333 0.74 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1MEN1
SCHEMBL14895094 0.73 SMN1; SMN2 (0.48) TDP1L3MBTL1ALDH1A1MAPT
SCHEMBL14895093 0.73 SMN1; SMN2 (0.48) TDP1L3MBTL1ALDH1A1MAPT
SCHEMBL308476 0.72 TSHR (0.49) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL29488320 0.72 TSHR (0.53) TSHRTDP1L3MBTL1ALDH1A1MEN1
SCHEMBL3910666 0.72 TSHR (0.53) TSHRTDP1L3MBTL1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030203907-A1 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis MSD K.K. (JP) 2003-10-30 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-20030203907-A1 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis CDK4, CDK6, CCNI TSHR 2964/4885TDP1 2621/4885L3MBTL1 4189/4885

“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.