SCHEMBL6769039

SCHEMBL6769039

COc1cc(N=C(N)N2CCc3ccccc32)c2ccccc2c1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 5/20 0.46
ATM Q13315 1/20 0.45
SCN2A Q99250 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
NOTUM Q6P988 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 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
SCHEMBL6771616 0.85 MAPT (0.51) LMNASMN1; SMN2MAPTTDP1RAB9A
SCHEMBL7103080 0.84 ALDH1A1 (0.52) LMNASMN1; SMN2MAPTTDP1RAB9A
Hydrochloric Acid SCHEMBL6768737 0.83 ALDH1A1 (0.51) LMNASMN1; SMN2MAPTTDP1RAB9A
SCHEMBL6768227 0.83 ALDH1A1 (0.51) LMNASMN1; SMN2MAPTTDP1RAB9A
SCHEMBL7099591 0.82 ALDH1A1 (0.55) LMNASMN1; SMN2MAPTTDP1RAB9A
SCHEMBL7103073 0.80 MAPT (0.53) LMNASMN1; SMN2MAPTTDP1RAB9A
SCHEMBL6774302 0.79 PDE4A (0.53) LMNASMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL6769036 0.76 LMNA (0.51) LMNASMN1; SMN2MAPTRAB9APOLB
SCHEMBL6768946 0.73 SIGMAR1 (0.57) LMNAMAPTTDP1RAB9ASIGMAR1
SCHEMBL6769990 0.73 MAPT (0.62) SMN1; SMN2MAPTTDP1RAB9APOLB

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 10 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
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 LMNA 1266/4885SMN1; SMN2 104/4885MAPT 122/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN LMNA 1266/4885SMN1; SMN2 104/4885MAPT 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.