SCHEMBL5847644

SCHEMBL5847644

CC1Cc2ccccc2N1C(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ SLC6A2 P23975 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ NOTUM Q6P988 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTR2A P28223 4/20 0.41
▸ HTR2C P28335 4/20 0.41
▸ HTR2B P41595 4/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL13831608 0.80 NOTUM (0.50) ALDH1A1LMNAHTTSLC6A2SLC6A4
SCHEMBL7674419 0.80 NOTUM (0.50) ALDH1A1LMNAHTTSLC6A2SLC6A4
SCHEMBL13831594 0.80 NOTUM (0.50) ALDH1A1LMNAHTTSLC6A2SLC6A4
SCHEMBL28136103 0.79 CHRM2 (0.37) ALDH1A1LMNAHTTSLC6A2SLC6A4
SCHEMBL11351137 0.77 NOTUM (0.47) ALDH1A1LMNAHTTSLC6A2SLC6A4
SCHEMBL11354688 0.77 NOTUM (0.47) ALDH1A1LMNAHTTSLC6A2SLC6A4
SCHEMBL11346039 0.77 NOTUM (0.51) ALDH1A1LMNASLC6A2SLC6A4NOTUM
SCHEMBL19120875 0.77 NOTUM (0.47) ALDH1A1LMNAHTTSLC6A2SLC6A4
SCHEMBL11349998 0.75 NOTUM (0.45) ALDH1A1LMNAHTTSLC6A2SLC6A4
SCHEMBL11361107 0.75 NOTUM (0.49) ALDH1A1LMNASLC6A2SLC6A4NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078567-B2 Amination process JOHNSTON JEFFREY N 2006-07-18 — — US disclosed
US-20040082778-A1 Amination process JOHNSTON JEFFREY N (US) 2004-04-29 — — US disclosed
US-6670479-B2 An sp2 hybridized radical is reacted with an azomethine group to form pyrrolidine and indole compounds ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. 2003-12-30 — — US disclosed
WO-2002072547-A1 AMINATION PROCESS ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) 2002-09-19 — — WO disclosed
US-20020128490-A1 Amination process ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. 2002-09-12 — — US disclosed
WO-2002070439-A2 AMINATION PROCESS JOHNSTON, JEFFREY, N. 2002-09-12 — — 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-20040082778-A1 Amination process IDO2, INMT, IDO1 ALDH1A1 567/4885LMNA 3108/4885HTT 3426/4885
US-20020128490-A1 Amination process IDO2, INMT, IDO1 ALDH1A1 106/4885LMNA 3421/4885HTT 4318/4885

“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.

Send feedback