SCHEMBL1596772

SCHEMBL1596772

NC(=O)c1cc(C=O)ccc1OCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
PARP1 P09874 2/20 0.49
POLB P06746 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
KDM4E B2RXH2 3/20 0.47
TSHR P16473 2/20 0.46
HTR1A P08908 2/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
HTR2A P28223 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1AN Q9NWT6 1/20 0.44
TP53 P04637 1/20 0.44
MAOB P27338 1/20 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
SCHEMBL8338047 0.84 ALDH1A1 (0.66) ALDH1A1MAPTHTTPOLBCNR1
SCHEMBL5692306 0.83 ALDH1A1 (0.51) ALDH1A1MAPTHTTPOLBCNR1
SCHEMBL4056455 0.81 ALDH1A1 (0.59) ALDH1A1MAPTHTTKDM4ETSHR
SCHEMBL5692458 0.80 ALDH1A1 (0.63) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL5692621 0.80 POLB (0.56) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL5692404 0.80 POLB (0.58) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL29570200 0.79 ALDH1A1 (0.65) ALDH1A1MAPTHTTKDM4ETSHR
SCHEMBL4048998 0.79 ALDH1A1 (0.65) ALDH1A1MAPTHTTKDM4ETSHR
Hydrochloric Acid SCHEMBL1596701 0.79 POLB (0.57) ALDH1A1MAPTHTTPOLBKDM4E
SCHEMBL8338923 0.79 ALDH1A1 (0.58) ALDH1A1MAPTHTTPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919517-B2 Indazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-04-05 US disclosed
US-20090082348-A1 INDAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-03-26 US disclosed
US-7470717-B2 Indazole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-12-30 US disclosed
US-20070117856-A1 Indazole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
EP-1652842-A1 INDAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-05-03 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 (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-20070117856-A1 Indazole derivatives IGF1R, NR0B2, ADRA2B ALDH1A1 1193/4885MAPT 4733/4885HTT 3190/4885
US-20090082348-A1 INDAZOLE DERIVATIVES IGF1R, NR0B2, ADRA2B ALDH1A1 1193/4885MAPT 4733/4885HTT 3190/4885

“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.