SCHEMBL6038529

SCHEMBL6038529

O=C(NC(=O)Oc1cc(Oc2ccc3c(ccn3C(=O)Nc3nccs3)c2)ccn1)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 5/20 0.38
KCNA5 P22460 1/20 0.36
HSD17B10 Q99714 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL5107794 0.83 RAB9A (0.39) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL6038526 0.82 RAB9A (0.38) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL6038698 0.81 KDR (0.40) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL5108381 0.80 KDR (0.47) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL5101328 0.79 NPC1 (0.40) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL6038815 0.79 ASAH1 (0.37) KDR
SCHEMBL6038635 0.78 KDR (0.36) KDR
SCHEMBL6038451 0.78 MCHR1 (0.38) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL6038763 0.78 GCK (0.40)
SCHEMBL6038737 0.78 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2KDR

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-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 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-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 RAB9A 878/4885NPC1 769/4885ALDH1A1 1501/4885

“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.