SCHEMBL8199625

SCHEMBL8199625

C=CCCCCc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HRH1 P35367 2/20 0.59
CYP2A6 P11509 1/20 0.58
TBXAS1 P24557 7/20 0.54
CHRNA7 P36544 2/20 0.52
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC4 P56524 1/20 0.47

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
SCHEMBL11329185 0.95 CYP2A6 (0.59) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL868537 0.87 CHRNA7 (0.57) TDP1L3MBTL1HRH1CYP2A6TBXAS1
Hydrochloric Acid SCHEMBL28122048 0.85 CHRNA7 (0.55) TDP1L3MBTL1HRH1CYP2A6TBXAS1
Bromide SCHEMBL17353587 0.85 CHRNA7 (0.55) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL29485675 0.84 TDP1 (0.80) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL724788 0.84 TDP1 (0.80) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL29485667 0.82 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL2845851 0.82 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL29485634 0.82 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL8658187 0.82 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6TBXAS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507411-B2 Neoglycorandomization and digitoxin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-08-13 US disclosed
US-8507411-B2 Neoglycorandomization and digitoxin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-08-13 US disclosed
US-20090075842-A1 NEOGLYCORANDOMIZATION AND DIGITOXIN ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-19 US disclosed
US-20090075842-A1 NEOGLYCORANDOMIZATION AND DIGITOXIN ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-19 US disclosed
US-6043227-A C11 carbamates of macrolide antibacterials PFIZER INC. (US) 2000-03-28 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 (1 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-20090075842-A1 NEOGLYCORANDOMIZATION AND DIGITOXIN ANALOGS CANX, DERA, GALE TDP1 2126/4885L3MBTL1 3460/4885HRH1 4685/4885

“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.