SCHEMBL2404535

SCHEMBL2404535

Cc1cc(C(=O)N2CCC3(CC=NO3)CC2)c(C)o1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
ALDH1A1 P00352 5/20 0.51
PKM P14618 2/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.42
ACACB O00763 2/20 0.40
ACACA Q13085 2/20 0.40
IDH1 O75874 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 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
SCHEMBL15309153 0.77 HTT (0.52) HTTALDH1A1PKMKMT2AMEN1
SCHEMBL2404917 0.76 HPGD (0.58) HTTALDH1A1PKMACACB
SCHEMBL2403173 0.74 KDM4E (0.51) HTTKMT2AMEN1KDM4EMAPK1
SCHEMBL15309143 0.73 RXFP1 (0.51) HTTALDH1A1KMT2AMEN1KDM4E
SCHEMBL4146952 0.73 HTT (0.73) HTTALDH1A1PKMKMT2AMEN1
SCHEMBL15880566 0.72 HTT (1.00) HTTALDH1A1PKMKMT2AMEN1
SCHEMBL2401901 0.72 CYP3A4 (0.52) ALDH1A1KMT2AMEN1HSD17B10TSHR
SCHEMBL2400887 0.72 AVPR1A (0.54) HTTALDH1A1KMT2AMEN1KDM4E
SCHEMBL2401414 0.72 GAA (0.48) ALDH1A1
SCHEMBL2400342 0.71 POLB (0.50) ALDH1A1MAPTKDM4EHSD17B10LMNA

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 HTT 2094/4885ALDH1A1 156/4885PKM 1372/4885

“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.