SCHEMBL2449210

SCHEMBL2449210

CCCOCOc1ccccc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
HSP90AA1 P07900 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 1/20 0.49
SLC6A3 Q01959 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL536427 0.87 MAPT (0.59) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL2451818 0.84 ALDH1A1 (0.63) MAPTHTTNPSR1ALDH1A1MEN1
SCHEMBL6041508 0.84 ALDH1A1 (0.51) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL7956581 0.83 MAPT (0.62) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL2290004 0.82 SLC6A3 (0.56) MAPTHSP90AA1HTTNPSR1ALDH1A1
Benzene SCHEMBL28006415 0.81 MAPT (0.60) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL6770205 0.81 MAPT (0.68) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL30553984 0.80 HCRTR1 (0.65) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL1989129 0.80 HCRTR1 (0.65) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL14438107 0.80 LMNA (0.70) MAPTHSP90AA1HTTNPSR1ALDH1A1

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-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
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 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-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 MAPT 4346/4885HSP90AA1 3753/4885HTT 3266/4885

“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.