SCHEMBL6774302

SCHEMBL6774302

COc1ccc(N=C(N)N2CCCc3ccccc32)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
ALDH1A1 P00352 7/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
SCN2A Q99250 1/20 0.48
GAA P10253 2/20 0.47
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 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
SCHEMBL6771616 0.93 MAPT (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7103080 0.87 ALDH1A1 (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
Hydrochloric Acid SCHEMBL6768737 0.86 ALDH1A1 (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7103083 0.82 NOTUM (0.52) ALDH1A1LMNAKDM4EHTTHSD17B10
SCHEMBL6768618 0.80 SIGMAR1 (0.58) ALDH1A1LMNAMAPTTDP1SMN1; SMN2
SCHEMBL7103252 0.79 NOTUM (0.45) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6769039 0.79 LMNA (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7099591 0.78 ALDH1A1 (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7099559 0.76 KMT2A (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7103073 0.76 MAPT (0.53) PDE4APDE4BPDE4CPDE4DALDH1A1

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 9 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-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 PDE4A 288/4885PDE4B 201/4885PDE4C 126/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN PDE4A 288/4885PDE4B 201/4885PDE4C 126/4885

“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.