SCHEMBL7098754

SCHEMBL7098754

CC(C)c1cccc(NC(=N)N2CCc3ccccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
SIGMAR1 Q99720 1/20 0.48
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
PKM P14618 3/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NOTUM Q6P988 1/20 0.43

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
SCHEMBL6775644 0.84 NPC1 (0.52) NPC1RAB9ASIGMAR1SMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL6775037 0.82 NPC1 (0.51) NPC1RAB9ASIGMAR1SMN1; SMN2NFKB1
SCHEMBL6768621 0.81 NPC1 (0.68) NPC1RAB9ASIGMAR1SMN1; SMN2NFKB1
SCHEMBL6768498 0.81 SIGMAR1 (0.55) NPC1RAB9ASIGMAR1SMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL6775006 0.80 NPC1 (0.66) NPC1RAB9ASIGMAR1SMN1; SMN2NFKB1
SCHEMBL6775199 0.80 RAB9A (0.54) NPC1RAB9ASIGMAR1SMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL6768585 0.79 RAB9A (0.53) NPC1RAB9ASIGMAR1SMN1; SMN2NFKB1
SCHEMBL6765702 0.79 SIGMAR1 (0.51) NPC1RAB9ASIGMAR1SMN1; SMN2NFKB1
SCHEMBL7099371 0.79 NPC1 (0.73) NPC1RAB9ASIGMAR1SMN1; SMN2NFKB1
SCHEMBL6770939 0.77 NPC1 (0.48) NPC1RAB9ASIGMAR1SMN1; 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-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP claimed
EP-0925300-A4 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 NPC1 246/4885RAB9A 1903/4885SIGMAR1 2813/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN NPC1 246/4885RAB9A 1903/4885SIGMAR1 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.