SCHEMBL7103071

SCHEMBL7103071

COc1ccc(NC(=N)N2CCc3ccccc32)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
TAS1R2 Q8TE23 1/20 0.56
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.55
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
MAOB P27338 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL7099588 0.87 GAA (0.62) LMNARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL6771614 0.83 ALDH1A1 (0.49) LMNARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL7104811 0.83 RAB9A (0.53) LMNARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL7104842 0.82 RAB9A (0.74) LMNATP53RAB9ASMN1; SMN2MAPT
SCHEMBL7103078 0.80 ALDH1A1 (0.53) LMNARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL6768224 0.80 GAA (0.52) LMNARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL6769036 0.80 LMNA (0.51) LMNARAB9ASMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL6768735 0.79 ALDH1A1 (0.52) LMNARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL6926368 0.79 MEN1 (0.50) TAS1R3TAS1R1TAS1R2LMNATP53
SCHEMBL6769733 0.79 ALDH1A1 (0.47) LMNARAB9ASMN1; SMN2MAPTNPC1

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 4 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
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 TAS1R3 3854/4885TAS1R1 4499/4885TAS1R2 4360/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN TAS1R3 3854/4885TAS1R1 4499/4885TAS1R2 4360/4885

“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.