SCHEMBL12330516

SCHEMBL12330516

Cc1ccccc1NCCCCO

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
HTT P42858 2/20 0.67
ALDH1A1 P00352 5/20 0.59
HPGD P15428 3/20 0.59
GAA P10253 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TSHR P16473 1/20 0.59
HSD17B10 Q99714 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
BRD4 O60885 1/20 0.46
ADRA2C P18825 1/20 0.43
HDAC1 Q13547 1/20 0.43
KCNH3 Q9ULD8 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TERT O14746 1/20 0.42

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
SCHEMBL1983015 0.94 MAPT (0.69) MAPTHTTALDH1A1HPGDGAA
SCHEMBL29589735 0.86 MAPT (0.75) MAPTHTTALDH1A1HPGDGAA
SCHEMBL56497 0.86 MAPT (0.75) MAPTHTTALDH1A1HPGDGAA
SCHEMBL3683031 0.82 HTT (0.69) MAPTHTTALDH1A1GAAL3MBTL1
SCHEMBL6248669 0.82 ALDH1A1 (0.53) MAPTHTTALDH1A1HPGDGAA
Sulfuric Acid SCHEMBL28861184 0.81 MAPT (0.62) MAPTHTTALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL4861750 0.81 ALDH1A1 (0.51) MAPTHTTALDH1A1HPGDGAA
SCHEMBL29379717 0.81 MAPT (1.00) MAPTHTTALDH1A1HPGDGAA
SCHEMBL76608 0.81 MAPT (1.00) MAPTHTTALDH1A1HPGDGAA
SCHEMBL25229719 0.81 HTT (0.67) MAPTHTTALDH1A1GAAL3MBTL1

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-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 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-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 MAPT 4346/4885HTT 3266/4885ALDH1A1 831/4885

“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.