SCHEMBL7104734

SCHEMBL7104734

NC(=Nc1cccc2ccccc12)N1CCc2cc(F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.50
NOTUM Q6P988 1/20 0.46
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
CNR2 P34972 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39

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
SCHEMBL6768946 0.85 SIGMAR1 (0.57) SIGMAR1NOTUMMAPTTDP1GRIN2D
SCHEMBL7106350 0.80 SIGMAR1 (0.48) SIGMAR1NOTUMMAPTTDP1CNR2
SCHEMBL7099820 0.80 SIGMAR1 (0.51) SIGMAR1MAPTTDP1HTT
Hydrochloric Acid SCHEMBL6768595 0.79 SIGMAR1 (0.50) SIGMAR1MAPTTDP1HTT
SCHEMBL6768618 0.78 SIGMAR1 (0.58) SIGMAR1NOTUMMAPTTDP1GRIN2D
SCHEMBL7104919 0.76 MAPT (0.54) SIGMAR1NOTUMMAPTTDP1GAA
SCHEMBL8335230 0.74 NOTUM (0.48) SIGMAR1NOTUMMAPTCNR2GAA
SCHEMBL7103080 0.72 ALDH1A1 (0.52) SIGMAR1NOTUMMAPTTDP1GAA
SCHEMBL7105253 0.72 MAPT (0.52) SIGMAR1NOTUMMAPTTDP1GAA
Hydrochloric Acid SCHEMBL6768737 0.71 ALDH1A1 (0.51) SIGMAR1NOTUMMAPTTDP1GAA

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 SIGMAR1 2813/4885NOTUM 439/4885MAPT 122/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN SIGMAR1 2813/4885NOTUM 439/4885MAPT 122/4885

“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.