SCHEMBL7863594

SCHEMBL7863594

O=C(c1cccc(O)c1O)N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.59
SIGMAR1 Q99720 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
PRKD3 O94806 1/20 0.49
PAK4 O96013 1/20 0.49
ABL1 P00519 1/20 0.49
NTRK1 P04629 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
IGF1R P08069 1/20 0.49
MET P08581 1/20 0.49
PDGFRB P09619 1/20 0.49
PIM1 P11309 1/20 0.49
FGFR1 P11362 1/20 0.49

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
SCHEMBL30417397 0.86 RXFP1 (0.68) RXFP1SIGMAR1HSP90AA1CHEK1AURKA
SCHEMBL12522808 0.86 RXFP1 (0.68) RXFP1SIGMAR1HSP90AA1CHEK1AURKA
SCHEMBL13947807 0.84 RXFP1 (0.56) RXFP1SIGMAR1HSP90AA1CHEK1AURKA
SCHEMBL11139094 0.84 RXFP1 (0.56) RXFP1SIGMAR1HSP90AA1CHEK1AURKA
SCHEMBL12845076 0.84 RXFP1 (0.56) RXFP1SIGMAR1HSP90AA1CHEK1AURKA
SCHEMBL9725169 0.83 MAPT (0.69) HSP90AA1KDM4EPOLBGAAMAPT
SCHEMBL8253848 0.82 RXFP1 (0.77) RXFP1SIGMAR1HSP90AA1POLBPARP1
SCHEMBL14639811 0.81 RXFP1 (0.54) RXFP1SIGMAR1HSP90AA1CHEK1AURKA
SCHEMBL8569059 0.81 SIGMAR1 (0.58) RXFP1SIGMAR1HSP90AA1POLBHRH3
SCHEMBL23067271 0.81 HSP90AA1 (0.57) RXFP1SIGMAR1HSP90AA1CHEK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108815-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY (US) 2012-05-03 US disclosed
WO-2010123995-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY (US) 2010-10-28 WO disclosed
US-5140020-A Antiinflammatory agents KUREHA KAGATU KOGYO KABUSHIKI KAISHA (JP) 1992-08-18 US disclosed
US-4725598-A Derivative of dihydroxybenzamide and a pharmaceutical composition having an anti-inflammatory activity KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-02-16 US disclosed
EP-0142241-B1 DIHYDROXYBENZAMIDE DERIVATIVES HAVING ANTI-INFLAMMATORY ACTIVITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-12-02 EP disclosed
EP-0142241-A1 Dihydroxybenzamide derivatives having anti-inflammatory activity KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-05-22 EP 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-20120108815-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES DRD3, DRD2, SLC6A3 RXFP1 577/4885SIGMAR1 181/4885HSP90AA1 4298/4885

“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.