SCHEMBL2454428

SCHEMBL2454428

CN(C)N=C(c1ccccc1OCc1ccc(Cl)cc1Cl)n1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.54
SLC6A2 P23975 3/20 0.54
HTR2A P28223 3/20 0.54
SLC6A4 P31645 3/20 0.54
HTR2B P41595 3/20 0.54
KCNH2 Q12809 3/20 0.54
HTR1A P08908 2/20 0.54
TBXA2R P21731 2/20 0.54
ADRA1A P35348 2/20 0.54
NR1I2 O75469 2/20 0.54
NR3C1 P04150 2/20 0.54
CNR1 P21554 2/20 0.54
HTR2C P28335 2/20 0.54
OPRK1 P41145 2/20 0.54
PDE4D Q08499 1/20 0.54
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
ADRB3 P13945 7/20 0.43
ADRB1 P08588 6/20 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
SCHEMBL2454425 1.00 ADORA3 (0.54) ADORA3SLC6A2HTR2ASLC6A4HTR2B
SCHEMBL2449576 0.90 NR1I2 (0.50) ADORA3SLC6A2HTR2ASLC6A4HTR2B
SCHEMBL2449578 0.90 NR1I2 (0.50) ADORA3SLC6A2HTR2ASLC6A4HTR2B
SCHEMBL8882786 0.87 ADORA3 (0.55) ADORA3SLC6A2HTR2ASLC6A4HTR2B
SCHEMBL8882790 0.87 ADORA3 (0.55) ADORA3SLC6A2HTR2ASLC6A4HTR2B
SCHEMBL2449294 0.86 HTR1A (0.73) ADORA3SLC6A2HTR2ASLC6A4HTR2B
SCHEMBL2449293 0.86 HTR1A (0.73) ADORA3SLC6A2HTR2ASLC6A4HTR2B
SCHEMBL2450102 0.86 NR1I2 (0.58) ADORA3SLC6A2HTR2ASLC6A4HTR2B
SCHEMBL2450098 0.86 NR1I2 (0.58) ADORA3SLC6A2HTR2ASLC6A4HTR2B
SCHEMBL30680200 0.84 HTR1A (0.72) ADORA3SLC6A2HTR2ASLC6A4HTR2B

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 ADORA3 443/4885SLC6A2 2434/4885HTR2A 346/4885

“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.