SCHEMBL5656450

SCHEMBL5656450

COC(=O)c1nccc2c([N+](=O)[O-])cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
POLB P06746 3/20 0.48
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAPT P10636 1/20 0.42
ASPH Q12797 1/20 0.42
KDM8 Q8N371 1/20 0.42

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
SCHEMBL5659170 0.84 TDP1 (0.56) TDP1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29028896 0.80 ALDH1A1 (0.60) TDP1POLBALDH1A1KDM4EMEN1
SCHEMBL8416055 0.79 TDP1 (0.58) TDP1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11973794 0.78 PSMD14 (0.61) TDP1POLBALDH1A1KDM4EMEN1
SCHEMBL31225074 0.78 TSHR (0.46) TDP1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL31225102 0.78 TDP1 (0.45) TDP1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL22948226 0.78 TSHR (0.46) TDP1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL22949601 0.78 TDP1 (0.45) TDP1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5658223 0.78 L3MBTL1 (0.45) TDP1NCOA1NCOA3ALDH1A1KDM4E
SCHEMBL9195884 0.78 TDP1 (0.56) TDP1NCOA1NCOA3POLBALDH1A1

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-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 US disclosed
EP-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 TDP1 4108/4885AKR1C4 467/4885AKR1C3 324/4885

“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.