SCHEMBL7101743

SCHEMBL7101743

NC(=Nc1ccc2oc(=O)ccc2c1)N1CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.53
CD74 P04233 1/20 0.51
MIF P14174 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL8305353 0.95 SIGMAR1 (0.48) SIGMAR1CD74MIFALDH1A1MAPT
SCHEMBL6775201 0.82 SIGMAR1 (0.62) SIGMAR1CD74MIFALDH1A1MAPT
Hydrochloric Acid SCHEMBL6768586 0.81 SIGMAR1 (0.61) SIGMAR1CD74MIFALDH1A1MAPT
SCHEMBL6768624 0.74 SIGMAR1 (0.67) SIGMAR1ALDH1A1MAPTRAB9AMEN1
SCHEMBL7099375 0.74 SIGMAR1 (0.65) SIGMAR1ALDH1A1MAPTRAB9AMEN1
SCHEMBL6765703 0.74 SIGMAR1 (0.61) SIGMAR1MAPTRAB9AKMT2ATDP1
SCHEMBL7100164 0.74 SIGMAR1 (0.61) SIGMAR1ALDH1A1MAPTRAB9AMEN1
SCHEMBL7101741 0.74 ALDH1A1 (0.50) SIGMAR1CD74MIFALDH1A1MAPT
SCHEMBL9317611 0.73 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL7100143 0.72 SIGMAR1 (0.58) SIGMAR1ALDH1A1MAPTRAB9AMEN1

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 SIGMAR1 2813/4885CD74 4119/4885MIF 1791/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN SIGMAR1 2813/4885CD74 4119/4885MIF 1791/4885

“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.