SCHEMBL7103083

SCHEMBL7103083

COc1cccc2c1CCN2C(N)=Nc1ccc(OC)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
SCN2A Q99250 1/20 0.46
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.38
PLAU P00749 1/20 0.38
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
UCHL1 P09936 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
SCHEMBL7103252 0.90 NOTUM (0.45) NOTUMSCN2ADRD2DRD4ALDH1A1
SCHEMBL6771616 0.86 MAPT (0.51) NOTUMSCN2AALDH1A1KDM4EMAPT
SCHEMBL7103080 0.85 ALDH1A1 (0.52) NOTUMSCN2AALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL6768737 0.84 ALDH1A1 (0.51) NOTUMSCN2AALDH1A1KDM4EMAPT
SCHEMBL6774302 0.82 PDE4A (0.53) NOTUMSCN2AALDH1A1KDM4EMAPT
SCHEMBL8333272 0.74 NOTUM (0.53) NOTUMSCN2ADRD2DRD4ALDH1A1
SCHEMBL7099591 0.73 ALDH1A1 (0.55) NOTUMSCN2AALDH1A1MAPTLMNA
SCHEMBL6768227 0.72 ALDH1A1 (0.51) NOTUMSCN2AALDH1A1MAPTLMNA
SCHEMBL6769039 0.72 LMNA (0.51) NOTUMSCN2AALDH1A1MAPTLMNA
SCHEMBL3895361 0.69 NOTUM (1.00) NOTUMDRD2DRD4ALDH1A1UCHL1

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 1957/4885DRD2 222/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN NOTUM 439/4885SCN2A 1957/4885DRD2 222/4885

“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.