SCHEMBL7104815

SCHEMBL7104815

COc1ccc(N=C(N)N2CCc3ccccc32)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 5/20 0.46
MAPK1 P28482 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
MAOB P27338 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 4/20 0.43
NOTUM Q6P988 1/20 0.42
SCN2A Q99250 1/20 0.42

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
SCHEMBL7103073 0.83 MAPT (0.53) MAPTTDP1RAB9ASMN1; SMN2NPC1
SCHEMBL7104845 0.77 RAB9A (0.59) MAPTTDP1RAB9ASMN1; SMN2NPC1
SCHEMBL7104811 0.76 RAB9A (0.53) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL11879040 0.75 PLAU (0.55) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL10620565 0.74 MEN1 (0.68) MAPTTDP1SMN1; SMN2MAPK1KMT2A
SCHEMBL7099591 0.74 ALDH1A1 (0.55) MAPTTDP1RAB9ASMN1; SMN2NPC1
SCHEMBL6771616 0.73 MAPT (0.51) MAPTTDP1RAB9ASMN1; SMN2NPC1
SCHEMBL7105269 0.71 MAPT (0.60) MAPTTDP1RAB9ASMN1; SMN2NPC1
SCHEMBL6768227 0.70 ALDH1A1 (0.51) MAPTTDP1RAB9ASMN1; SMN2SIGMAR1
SCHEMBL6769039 0.70 LMNA (0.51) MAPTTDP1RAB9ASMN1; SMN2SIGMAR1

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 297/4885RAB9A 1903/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN MAPT 122/4885TDP1 297/4885RAB9A 1903/4885

“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.