SCHEMBL6038698

SCHEMBL6038698

O=C(O)Nc1cc(Oc2ccc3c(ccn3C(=O)Nc3nccs3)c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GCK P35557 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL5104363 0.87 FGFR1 (0.42) KDRNPC1RAB9AMEN1ALDH1A1
SCHEMBL5115905 0.87 KDR (0.39) KDRNPC1RAB9AMEN1ALDH1A1
SCHEMBL5108381 0.86 KDR (0.47) KDRNPC1RAB9AMEN1ALDH1A1
SCHEMBL5101328 0.81 NPC1 (0.40) KDRNPC1RAB9AMEN1ALDH1A1
SCHEMBL6038529 0.81 RAB9A (0.39) KDRNPC1RAB9AMEN1ALDH1A1
SCHEMBL5107794 0.81 RAB9A (0.39) KDRNPC1RAB9AMEN1ALDH1A1
SCHEMBL6038526 0.79 RAB9A (0.38) KDRNPC1RAB9AMEN1ALDH1A1
SCHEMBL6038823 0.77 FGFR1 (0.44) KDRGCKBRAF
SCHEMBL6038393 0.77 FGFR1 (0.46)
SCHEMBL1894686 0.77 KDR (0.64) KDR

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 KDR 1940/4885NPC1 769/4885RAB9A 878/4885

“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.