SCHEMBL6454699

SCHEMBL6454699

O=C(O)c1cc(-c2ccc3ccccc3c2)nn1-c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ CTRC Q99895 1/20 0.42
▸ SIRT2 Q8IXJ6 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ FFAR4 Q5NUL3 3/20 0.41
▸ MARS1 P56192 2/20 0.41
▸ MAPKAPK2 P49137 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ DCTPP1 Q9H773 1/20 0.40
▸ ALKBH2 Q6NS38 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL6453987 0.83 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6449553 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDPOLBFFAR4
SCHEMBL6451253 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDIRAK4SIRT2
SCHEMBL6457912 0.78 NPSR1 (0.46) ALDH1A1KDM4ECA12CTRCMEN1
SCHEMBL6457030 0.78 MARS1 (0.62) ALDH1A1MEN1KMT2AMARS1
SCHEMBL20028116 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL26047951 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL535125 0.73 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDFFAR4MARS1
SCHEMBL8589911 0.72 SMN1; SMN2 (0.54) CA12CTRCMEN1KMT2APOLB
SCHEMBL17793775 0.71 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMEN1KMT2A

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 — — US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 — — 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 (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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC ALDH1A1 287/4885KDM4E 3106/4885HPGD 258/4885

“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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