SCHEMBL7103252

SCHEMBL7103252

COc1ccc(N=C(N)N2CCc3c(Cl)cccc32)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
SCN2A Q99250 1/20 0.44
MAPK1 P28482 1/20 0.42
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
FAAH O00519 1/20 0.35
DRD3 P35462 1/20 0.35
AR P10275 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PTPN11 Q06124 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7103083 0.90 NOTUM (0.52) NOTUMSCN2ADRD2DRD4ALDH1A1
SCHEMBL6771616 0.83 MAPT (0.51) NOTUMSCN2APDE4APDE4BPDE4C
SCHEMBL7103080 0.80 ALDH1A1 (0.52) NOTUMSCN2APDE4APDE4BPDE4C
SCHEMBL6774302 0.79 PDE4A (0.53) NOTUMSCN2APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL6768737 0.79 ALDH1A1 (0.51) NOTUMSCN2APDE4APDE4BPDE4C
SCHEMBL6769039 0.70 LMNA (0.51) NOTUMSCN2APDE4APDE4BPDE4C
SCHEMBL7099591 0.69 ALDH1A1 (0.55) NOTUMSCN2APDE4APDE4BPDE4C
SCHEMBL6768227 0.68 ALDH1A1 (0.51) NOTUMSCN2APDE4APDE4BPDE4C
SCHEMBL6776139 0.67 MAPT (0.56) NOTUMSCN2AALDH1A1SIGMAR1MAPT
SCHEMBL7103073 0.67 MAPT (0.53) NOTUMSCN2AMAPK1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US claimed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US claimed
US-6358993-B1 TREATMENT OF NEUROLOGICAL INJURY AND NEURODEGENERATIVE DISORDERS; NEUROPROTECTIVE AGENTS; SUBSTITUTED INDOLINYL AND INDOLINYL GUANIDINE DERIVATIVES CENES PHARMACEUTICALS, INC. 2002-03-19 US claimed
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP claimed
EP-0925300-A4 1999-06-30 EP claimed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 WO claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 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 (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-20030153763-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN NOTUM 439/4885SCN2A 1957/4885MAPK1 4323/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN NOTUM 439/4885SCN2A 1957/4885MAPK1 4323/4885

“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.