SCHEMBL2400760

SCHEMBL2400760

Cc1cc(C(=O)N2CCC3(CC=NO3)CC2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
TSHR P16473 2/20 0.45
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 5/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 3/20 0.39
HSP90AB1 P08238 3/20 0.39
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
PLA2G7 Q13093 1/20 0.36

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
SCHEMBL15309177 0.83 HPGD (0.53) HPGDMGLLPOLB
SCHEMBL6410049 0.79 HPGD (0.43) HPGDTSHRMGLLALDH1A1TP53
SCHEMBL2401329 0.79 TSHR (0.53) HPGDTSHRALDH1A1KMT2AMEN1
SCHEMBL15309141 0.78 L3MBTL1 (0.46) ALDH1A1HSP90AA1KMT2AMEN1KDM4E
SCHEMBL31285105 0.77 HPGD (0.55) HPGDTSHRMGLLALDH1A1TP53
SCHEMBL2401901 0.77 CYP3A4 (0.52) HPGDTSHRALDH1A1TP53KMT2A
SCHEMBL15309179 0.77 SLC6A7 (0.46) HPGDMGLLALDH1A1KMT2AMEN1
SCHEMBL15309116 0.77 POLB (0.60) HPGDTSHRALDH1A1POLB
SCHEMBL6410053 0.77 MGLL (0.42) HPGDTSHRMGLLALDH1A1TP53
SCHEMBL2401240 0.77 HTR1A (0.51)

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-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 HPGD 443/4885TSHR 1894/4885MGLL 3834/4885

“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.