SCHEMBL2346745

SCHEMBL2346745

Oc1ccc(N2CC[CH]CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ GAA P10253 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ DRD4 P21917 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ LMNA P02545 2/20 0.44
▸ ME3 Q16798 6/20 0.42
▸ ME2 P23368 5/20 0.42
▸ ME1 P48163 5/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA2 P00918 2/20 0.40

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
SCHEMBL6399527 0.86 MAPT (0.46) MAPTKDM4EALDH1A1PKMGAA
SCHEMBL7041242 0.85 MAPT (0.68) MAPTKDM4EALDH1A1PKMGAA
SCHEMBL3043144 0.80 ALDH1A1 (0.57) MAPTKDM4EALDH1A1PKMGAA
SCHEMBL657027 0.80 ALDH1A1 (0.57) MAPTKDM4EALDH1A1PKMGAA
SCHEMBL7106841 0.78 KDM4E (0.61) MAPTKDM4EALDH1A1PKMGAA
SCHEMBL2947895 0.78 ALDH1A1 (0.58) MAPTKDM4EALDH1A1PKMGAA
Hydrochloric Acid SCHEMBL11794645 0.78 ALDH1A1 (0.58) MAPTKDM4EALDH1A1PKMGAA
SCHEMBL20748279 0.78 ALDH1A1 (0.58) MAPTKDM4EALDH1A1PKMGAA
SCHEMBL4074886 0.76 HTR3E (0.59) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL4064416 0.76 ADRB1 (0.59) MAPTKDM4EALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 — — US disclosed
EP-2361902-A1 4,6-DIAMINONICOTINAMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-08-31 — — EP 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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND JAK3, JAK2, JAK1 MAPT 1361/4885KDM4E 1929/4885ALDH1A1 1378/4885

“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.

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