SCHEMBL7103073

SCHEMBL7103073

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
SMN1; SMN2 Q16637 7/20 0.50
RAB9A P51151 6/20 0.50
SIGMAR1 Q99720 1/20 0.50
NPC1 O15118 4/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
MAOB P27338 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL7099591 0.87 ALDH1A1 (0.55) MAPTTDP1SMN1; SMN2RAB9ASIGMAR1
SCHEMBL7104815 0.83 MAPT (0.47) MAPTTDP1SMN1; SMN2RAB9ASIGMAR1
SCHEMBL6771616 0.82 MAPT (0.51) MAPTTDP1SMN1; SMN2RAB9ASIGMAR1
SCHEMBL7104845 0.82 RAB9A (0.59) MAPTTDP1SMN1; SMN2RAB9ASIGMAR1
SCHEMBL6768227 0.80 ALDH1A1 (0.51) MAPTTDP1SMN1; SMN2RAB9ASIGMAR1
SCHEMBL6769039 0.80 LMNA (0.51) MAPTTDP1SMN1; SMN2RAB9ASIGMAR1
SCHEMBL7103080 0.79 ALDH1A1 (0.52) MAPTTDP1SMN1; SMN2RAB9ASIGMAR1
Hydrochloric Acid SCHEMBL6768737 0.78 ALDH1A1 (0.51) MAPTTDP1SMN1; SMN2RAB9ASIGMAR1
SCHEMBL6774302 0.76 PDE4A (0.53) MAPTTDP1SMN1; SMN2PKMKMT2A
SCHEMBL7105269 0.76 MAPT (0.60) MAPTTDP1SMN1; SMN2RAB9ASIGMAR1

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 MAPT 122/4885TDP1 297/4885SMN1; SMN2 104/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN MAPT 122/4885TDP1 297/4885SMN1; SMN2 104/4885

“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.