SCHEMBL6770940

SCHEMBL6770940

CCC(C)c1ccc(N=C(N)N2CCc3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.60
MAPT P10636 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
POLB P06746 1/20 0.45
SCN2A Q99250 1/20 0.45
NOTUM Q6P988 2/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 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
SCHEMBL6769101 0.93 SIGMAR1 (0.52) SIGMAR1MAPTTDP1NOTUMSMN1; SMN2
SCHEMBL8440693 0.83 SIGMAR1 (0.76) SIGMAR1MAPTTDP1POLBSCN2A
SCHEMBL7681718 0.81 SCN2A (0.64) SIGMAR1MAPTTDP1SCN2ANOTUM
SCHEMBL6768624 0.80 SIGMAR1 (0.67) SIGMAR1MAPTTDP1SCN2ANOTUM
SCHEMBL7100143 0.78 SIGMAR1 (0.58) SIGMAR1MAPTTDP1POLBSCN2A
SCHEMBL7104845 0.78 RAB9A (0.59) SIGMAR1MAPTTDP1SCN2ANOTUM
SCHEMBL7098755 0.77 SIGMAR1 (0.67) SIGMAR1MAPTTDP1POLBSCN2A
SCHEMBL7099375 0.75 SIGMAR1 (0.65) SIGMAR1MAPTTDP1POLBSCN2A
SCHEMBL6895611 0.75 SIGMAR1 (0.58) SIGMAR1MAPTTDP1POLBSCN2A
SCHEMBL6768501 0.75 SIGMAR1 (1.00) SIGMAR1MAPTTDP1POLBSCN2A

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 13 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
US-6770668-B2 INDOLINYL, 1,2,3,4-TETRAHYDROQUINOLINYL, 1,2,3,4-TETRAHYDRO ISOQUINOLINYL, BENZ(CD)INDOLINYL AND 5,6-DIHYDROPHEN ANTHRIDINYL COMPOUNDS; TREATING NEURODEGENERATIVE DISORDERS WYETH 2004-08-03 US disclosed
US-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US disclosed
US-6514990-B2 Fused N-heterocylic rings substituted at the ring nitrogen with group of formula (R-N(-R1)-C(=NH)-); treating a neurodegenerative disease; N-(m-ethylphenyl)-1-indolinylcarboximidamide, for example SCION PHARMACEUTICALS, INC. 2003-02-04 US disclosed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US disclosed
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 disclosed
US-6025355-A SUBSTITUTED INDOLINYL AND DERIVATIVES THEREOF, NEUROLOGICAL INJURY AND NEURODEGENERATIVE DISORDERS. CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-02-15 US disclosed
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 2813/4885MAPT 122/4885TDP1 297/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN SIGMAR1 2813/4885MAPT 122/4885TDP1 297/4885

“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.