SCHEMBL3583265

SCHEMBL3583265

CN(C)CCOc1ccc(N)c2c1C(=O)c1c(N)cccc1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
FGB P02675 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 1/20 0.49
PPARG P37231 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTR7 P34969 3/20 0.43
NOS3 P29474 4/20 0.42
NOS1 P29475 4/20 0.42
NOS2 P35228 4/20 0.42
FGR P09769 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
SCHEMBL15293052 0.85 MEN1 (0.52) ADORA2AALDH1A1SMN1; SMN2MEN1FGB
SCHEMBL10057926 0.82 MEN1 (0.49) ADORA2AALDH1A1SMN1; SMN2MEN1FGB
SCHEMBL7791992 0.79 HTR7 (0.54) ALDH1A1SMN1; SMN2HTR7KDM4EHTR1B
SCHEMBL15292953 0.77 KCNA3 (0.50) ADORA2AALDH1A1SMN1; SMN2MEN1FGB
Hydrochloric Acid SCHEMBL11606266 0.77 KCNA3 (0.61) ALDH1A1SMN1; SMN2MAPTMAPK1HTR7
SCHEMBL3177072 0.75 ADORA2A (0.76) ADORA2AALDH1A1SMN1; SMN2MEN1FGB
SCHEMBL9540725 0.75 MEN1 (0.53) ALDH1A1SMN1; SMN2MEN1POLBMAPT
SCHEMBL10809856 0.74 MEN1 (0.68) ADORA2AALDH1A1SMN1; SMN2MEN1FGB
SCHEMBL10812034 0.74 ADORA2A (0.51) ADORA2AALDH1A1SMN1; SMN2MEN1FGB
SCHEMBL10058149 0.74 KCNA3 (0.50) ADORA2AALDH1A1SMN1; SMN2MEN1FGB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2658511-B1 DYEING COMPOSITION FOR KERATIN FIBERS KAO GERMANY GMBH (DE) 2018-04-04 EP disclosed
US-7776106-B2 Dyestuffs and hair dye compositions DYSTAR TEXTILFARBEN GMBH & CO., DEUTSCHLAND KG (DE) 2010-08-17 US disclosed
US-20090217466-A1 DYESTUFFS AND HAIR DYE COMPOSITIONS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-09-03 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-20090217466-A1 DYESTUFFS AND HAIR DYE COMPOSITIONS TYR, CDY1; CDY1B, RDX ADORA2A 4006/4885ALDH1A1 44/4885SMN1; SMN2 4883/4885

“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.