SCHEMBL10130855

SCHEMBL10130855

O=[N+]([O-])c1ccc(C2CCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.67
HSP90AA1 P07900 1/20 0.62
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
GPR35 Q9HC97 1/20 0.49
HIF1A Q16665 1/20 0.49
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
GAA P10253 2/20 0.47
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL6903614 0.85 HSP90AA1 (0.69) SLC18A3HSP90AA1TDP1ALDH1A1SMN1; SMN2
SCHEMBL1772060 0.80 ALDH1A1 (0.51) SLC18A3HSP90AA1MEN1KMT2ATDP1
SCHEMBL25447112 0.80 HSP90AA1 (0.63) SLC18A3HSP90AA1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8786327 0.80 MAPK1 (0.51) SLC18A3HSP90AA1MEN1KMT2AALDH1A1
SCHEMBL11414301 0.80 HSP90AA1 (0.63) SLC18A3HSP90AA1MEN1KMT2ATDP1
SCHEMBL3475099 0.79 HSP90AA1 (0.67) SLC18A3HSP90AA1MEN1KMT2ATDP1
SCHEMBL19204937 0.79 HSP90AA1 (0.57) SLC18A3HSP90AA1MEN1KMT2ATDP1
SCHEMBL28092025 0.78 CHRNB4 (0.67) SLC18A3HSP90AA1TDP1ALDH1A1TSHR
SCHEMBL4327533 0.78 HSP90AA1 (0.65) SLC18A3HSP90AA1MEN1KMT2AALDH1A1
SCHEMBL27936429 0.78 SLC18A3 (0.45) SLC18A3HSP90AA1MEN1KMT2ATDP1

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-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 US disclosed
US-7671061-B2 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES, INC. (US) 2010-03-02 US disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 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 (2 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-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 SLC18A3 636/4885HSP90AA1 807/4885MEN1 4652/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 SLC18A3 62/4885HSP90AA1 744/4885MEN1 4734/4885

“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.