SCHEMBL6774554

SCHEMBL6774554

CCc1cccc(N=C(N)N2CCCc3ccccc32)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.87
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.45
NOTUM Q6P988 1/20 0.45
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
LMNA P02545 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
SCHEMBL6768501 0.93 SIGMAR1 (1.00) SIGMAR1MAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL7103386 0.82 SIGMAR1 (0.57) SIGMAR1MAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL8440693 0.79 SIGMAR1 (0.76) SIGMAR1MAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL7098844 0.79 SIGMAR1 (0.55) SIGMAR1MAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL6769888 0.77 SIGMAR1 (0.53) SIGMAR1MAPTTDP1SMN1; SMN2KMT2A
SCHEMBL7099090 0.77 SIGMAR1 (0.53) SIGMAR1MAPTTDP1SMN1; SMN2KMT2A
SCHEMBL6765723 0.77 SIGMAR1 (0.53) SIGMAR1MAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL6775648 0.77 SIGMAR1 (0.72) SIGMAR1MAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL7105259 0.77 KMT2A (0.55) SIGMAR1MAPTTDP1SMN1; SMN2KMT2A
SCHEMBL6769101 0.76 SIGMAR1 (0.52) SIGMAR1MAPTTDP1SMN1; SMN2ALDH1A1

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-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

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.