SCHEMBL6095161

SCHEMBL6095161

C=C1N(C)c2ccccc2N1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
TTR P02766 1/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 4/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
PAX8 Q06710 1/20 0.36
MCL1 Q07820 1/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
BRPF1 P55201 1/20 0.34
MAPT P10636 3/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL22739278 0.81 SMN1; SMN2 (0.38) MAOATTRCES1ALDH1A1
SCHEMBL29390564 0.81 MAOA (0.60) MAOATTRCES1LMNAALDH1A1
SCHEMBL482716 0.81 MAOA (0.60) MAOATTRCES1LMNAALDH1A1
SCHEMBL4571020 0.81 MAOA (0.60) MAOATTRCES1LMNAALDH1A1
SCHEMBL13636983 0.81
SCHEMBL16786519 0.75 MAOA (0.48) MAOATTRCES1LMNAALDH1A1
SCHEMBL14421169 0.72 CA12 (0.44) LMNAALDH1A1MEN1KMT2ACA12
SCHEMBL13866805 0.71 MAPT (0.38) LMNAALDH1A1L3MBTL1GAAMCL1
SCHEMBL16519629 0.71 ADORA3 (0.37) ALDH1A1
SCHEMBL12660037 0.71 NR1H2 (0.44) LMNAALDH1A1L3MBTL1GAAMEN1

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-11872225-B2 Pyruvate kinase modulators and use thereof AGIOS PHARMACEUTICALS, INC. (US) 2024-01-16 US disclosed
EP-4265666-A1 DIBORANE-BASED, METAL-FREE CATALYST SYSTEMS FOR THE PREPARATION OF ISOTACTIC-ENRICHED ALIPHATIC POLYETHERS, RELATED PROCESS, POLYETHER OBTAINED BY THE PROCESS AND USE OF THE CATALYST SYSTEMS Universität Stuttgart (DE) 2023-10-25 EP disclosed
WO-2023135603-A1 MODULATORS OF SK4 POTASSIUM CHANNEL AND USES THEREOF RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2023-07-20 WO disclosed
US-7132550-B2 Process for the preparation of cyanine dyes with polysulfonate anions EASTMAN KODAK COMPANY (US) 2006-11-07 US disclosed
EP-1535968-A2 Process for the preparation of cyanine dyes with polysulfonate anions Kodak Polychrome Graphics, LLC (US) 2005-06-01 EP disclosed
US-20050113546-A1 Process for the preparation of cyanine dyes with polysulfonate anions KODAK REALTY INC. 2005-05-26 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-11872225-B2 Pyruvate kinase modulators and use thereof PDK1, PDK2, PDK4 MAOA 3679/4885TTR 3087/4885CES1 553/4885
US-20050113546-A1 Process for the preparation of cyanine dyes with polysulfonate anions MPST, ALG3, KIT MAOA 3895/4885TTR 2969/4885CES1 3501/4885

“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.