SCHEMBL2454494

SCHEMBL2454494

O=C(O)c1ccccc1OCCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 1/20 0.59
PTK2B Q14289 1/20 0.59
HRH2 P25021 1/20 0.51
KDM4E B2RXH2 3/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTPN1 P18031 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 2/20 0.43
CYP2C9 P11712 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
LMNA P02545 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
SCHEMBL2447492 0.84 ALDH1A1 (0.55) ALDH1A1KMT2APTK2BKDM4EHTT
Nitrous Acid SCHEMBL29102323 0.82 ALDH1A1 (0.40) ALDH1A1KMT2APTK2BHRH2KDM4E
SCHEMBL30211332 0.80 ALDH1A1 (0.89) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL2049483 0.80 ALDH1A1 (0.89) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL301122 0.79 ALDH1A1 (0.69) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL212173 0.78 ALDH1A1 (0.79) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL16498162 0.77 RAB9A (0.43) ALDH1A1KDM4EHTTSMN1; SMN2CA12
SCHEMBL8926671 0.77 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL571511 0.77 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL29400029 0.77 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BKDM4EHTT

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 ALDH1A1 831/4885KMT2A 1190/4885PTK2B 1476/4885

“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.