SCHEMBL7100770

SCHEMBL7100770

Cc1cccc2c(NC(=N)N3CCc4ccccc43)ccc(C)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NFKB1 P19838 4/20 0.47
NFKB2 Q00653 4/20 0.47
RELA Q04206 4/20 0.47
MAPT P10636 4/20 0.47
PKM P14618 2/20 0.47
USP2 O75604 1/20 0.45
TP53 P04637 2/20 0.44
NOTUM Q6P988 1/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL6769989 0.85 SIGMAR1 (0.59) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL6774845 0.85 NPC1 (0.52) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL6768842 0.84 SIGMAR1 (0.58) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL6769316 0.84 NPC1 (0.51) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL6768941 0.83 SIGMAR1 (0.55) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL7105266 0.81 SIGMAR1 (0.54) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL6770585 0.81 RAB9A (0.53) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL6771614 0.79 ALDH1A1 (0.49) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL6768523 0.79 KDM4E (0.50) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL7103078 0.78 ALDH1A1 (0.53) SIGMAR1NPC1RAB9ASMN1; SMN2NFKB1

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 2813/4885NPC1 246/4885RAB9A 1903/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN SIGMAR1 2813/4885NPC1 246/4885RAB9A 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.