SCHEMBL7042116

SCHEMBL7042116

Nc1nc(-c2ccc(N3CCCC3)cc2)co1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.48
▸ POLB P06746 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ USP2 O75604 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CHKA P35790 1/20 0.43

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
Bromide SCHEMBL6830040 0.98 LTA4H (0.47) LTA4HPOLBGAAMAPTL3MBTL1
Bromide SCHEMBL6833472 0.78 CHKA (0.49) CHKADHODH
SCHEMBL19131714 0.77 ENPP3 (0.54) GAAMAPTL3MBTL1TP53KDM4E
SCHEMBL127262 0.72 RAB9A (0.54) LTA4HPOLBMAPTTP53KDM4E
SCHEMBL7040199 0.72 IRAK4 (0.44) MAPTTP53NPC1RAB9AUSP2
SCHEMBL17548467 0.72 LTA4H (0.56) LTA4HPOLBGAAMAPTKDM4E
SCHEMBL7933583 0.72 LTA4H (0.56) LTA4HPOLBMAPTHSD17B10MEN1
SCHEMBL13210267 0.72 ENPP3 (0.63) LTA4HMAPTTP53KDM4ENPC1
SCHEMBL6603647 0.72 LTA4H (0.81) LTA4HPOLBGAAMAPTKDM4E
SCHEMBL8119166 0.71 LTA4H (0.54) LTA4HMAPTKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030158199-A1 Novel compounds for inhibition of Tie-2 KYLIX, B.V. (NL) 2003-08-21 — — US 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-20030158199-A1 Novel compounds for inhibition of Tie-2 TIE1, TEK, KDR LTA4H 3593/4885POLB 4121/4885GAA 3773/4885

“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.

Send feedback