SCHEMBL2453666

SCHEMBL2453666

CN(C)/N=C(/c1ccccc1COc1ccccc1)n1ccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
TBXAS1 P24557 1/20 0.38
NR1I2 O75469 1/20 0.37
NR3C1 P04150 1/20 0.37
HTR1A P08908 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CNR1 P21554 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
PDE4D Q08499 1/20 0.37
KCNH2 Q12809 1/20 0.37
HMOX1 P09601 1/20 0.36

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
SCHEMBL2453671 1.00 ADRB2 (0.39) ADRB2ADRB1ADRB3TBXAS1NR1I2
SCHEMBL2447434 0.88 TBXAS1 (0.41) ADRB2ADRB1ADRB3TBXAS1CYP19A1
SCHEMBL2447436 0.88 TBXAS1 (0.41) ADRB2ADRB1ADRB3TBXAS1CYP19A1
SCHEMBL2449849 0.83 ADRB2 (0.47) ADRB2ADRB1ADRB3TBXAS1NR1I2
SCHEMBL2449847 0.83 ADRB2 (0.47) ADRB2ADRB1ADRB3TBXAS1NR1I2
SCHEMBL2452610 0.83 ADRB2 (0.38) ADRB2ADRB1ADRB3TBXAS1NR1I2
SCHEMBL2452609 0.83 ADRB2 (0.38) ADRB2ADRB1ADRB3TBXAS1NR1I2
SCHEMBL2452109 0.82 ADRB2 (0.47) ADRB2ADRB1ADRB3TBXAS1NR1I2
SCHEMBL2456424 0.82 ADRB2 (0.47) ADRB2ADRB1ADRB3TBXAS1NR1I2
SCHEMBL2456426 0.82 ADRB2 (0.47) ADRB2ADRB1ADRB3TBXAS1NR1I2

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 ADRB2 16/4885ADRB1 33/4885ADRB3 64/4885

“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.