SCHEMBL7104919

SCHEMBL7104919

NC(=Nc1ccc(F)cc1F)N1CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
SIGMAR1 Q99720 2/20 0.51
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
SCN2A Q99250 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
STAT1 P42224 1/20 0.44
TSHR P16473 2/20 0.43
NOTUM Q6P988 2/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7105253 0.81 MAPT (0.52) MAPTTDP1SIGMAR1GAAHTT
SCHEMBL7098241 0.79 ATM (0.51) MAPTTDP1SIGMAR1SMN1; SMN2NOTUM
SCHEMBL7105269 0.77 MAPT (0.60) MAPTTDP1SIGMAR1NPC1RAB9A
SCHEMBL7103365 0.77 MAPT (0.54) MAPTTDP1SIGMAR1NPC1RAB9A
SCHEMBL6769990 0.76 MAPT (0.62) MAPTTDP1SIGMAR1NPC1RAB9A
SCHEMBL6774952 0.76 MAPT (0.55) MAPTTDP1SIGMAR1NPC1RAB9A
SCHEMBL7104734 0.76 SIGMAR1 (0.50) MAPTTDP1SIGMAR1GAAHTT
SCHEMBL7106343 0.75 MAPT (0.58) MAPTTDP1SIGMAR1NPC1RAB9A
SCHEMBL7099591 0.75 ALDH1A1 (0.55) MAPTTDP1SIGMAR1GAANPC1
SCHEMBL6768624 0.75 SIGMAR1 (0.67) MAPTTDP1SIGMAR1GAANPC1

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-A4 1999-06-30 EP claimed
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 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 MAPT 122/4885TDP1 297/4885SIGMAR1 2813/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN MAPT 122/4885TDP1 297/4885SIGMAR1 2813/4885

“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.