SCHEMBL2347313

SCHEMBL2347313

O=C1CCOCCN1c1cc[c]nc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTGS2 P35354 6/20 0.33
▸ TSHR P16473 1/20 0.32
▸ F10 P00742 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL2344200 0.87 PTGS2 (0.44) PTGS2F10
SCHEMBL2337506 0.81 ALDH1A1 (0.46) ALDH1A1HPGDKMT2ATSHRSMN1; SMN2
SCHEMBL2340431 0.80 ALDH1A1 (0.41) ALDH1A1HPGD
SCHEMBL2342728 0.79 HPGD (0.42) ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL2350173 0.77 HPGD (0.38) HPGDKMT2A
SCHEMBL1515215 0.76 LMNA (0.47) ALDH1A1HPGDKDM4EKMT2ATSHR
SCHEMBL12280261 0.75 PIK3CA (0.43) ALDH1A1HPGDKDM4EKMT2APTGS2
SCHEMBL2342841 0.72 SLC6A2 (0.40) HPGD
SCHEMBL16570287 0.72 SLC6A2 (0.40) —
SCHEMBL85673 0.71 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EKMT2APTGS2

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 ALDH1A1 1378/4885HPGD 2840/4885KDM4E 1929/4885

“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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