SCHEMBL5202659

SCHEMBL5202659

[c]1nc2c(-c3nc4ccccc4o3)cccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.57
ALDH1A1 P00352 7/20 0.46
NPC1 O15118 6/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 5/20 0.46
TP53 P04637 5/20 0.46
RAB9A P51151 5/20 0.46
HSD17B10 Q99714 5/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KDM6B O15054 1/20 0.46
KDM6A O15550 1/20 0.46
USP2 O75604 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 4/20 0.44

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
SCHEMBL29563651 0.80 TOP2A (0.82) TOP2AALDH1A1NPC1KDM4EHPGD
SCHEMBL1223141 0.80 TOP2A (0.82) TOP2AALDH1A1NPC1KDM4EHPGD
SCHEMBL3222732 0.78 ALDH1A1 (0.30) ALDH1A1HSD17B10ATMTSHR
SCHEMBL29504749 0.78 TOP2A (0.62) TOP2AALDH1A1NPC1KDM4EHPGD
SCHEMBL171055 0.78 TOP2A (0.62) TOP2AALDH1A1NPC1KDM4EHPGD
SCHEMBL7131658 0.78
SCHEMBL12854009 0.76 TOP2A (0.60) TOP2AALDH1A1NPC1KDM4EHPGD
SCHEMBL5614890 0.75 TOP2A (0.53) TOP2AALDH1A1NPC1KDM4EHPGD
SCHEMBL787149 0.75 TOP2A (0.53) TOP2AALDH1A1NPC1KDM4EHPGD
SCHEMBL824375 0.74 NPC1 (0.69) TOP2AALDH1A1NPC1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20070093478-A1 Novel mycobacterial inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-26 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 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 (2 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK TOP2A 4765/4885ALDH1A1 176/4885NPC1 614/4885
US-20070093478-A1 Novel mycobacterial inhibitors NQO2, NAT1, HRH1 TOP2A 2594/4885ALDH1A1 1106/4885NPC1 342/4885

“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.