SCHEMBL2452628

SCHEMBL2452628

CCCCCOc1ccccc1/C(=N/N(C)C)n1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.50
ADRB1 P08588 6/20 0.50
ADRB3 P13945 6/20 0.50
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NR1I2 O75469 2/20 0.43
OPRK1 P41145 2/20 0.43
HTR2B P41595 2/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 2/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
MAPT P10636 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NR3C1 P04150 1/20 0.43
HTR1A P08908 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CNR1 P21554 1/20 0.43
TBXA2R P21731 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
SCHEMBL2452630 1.00 ADRB2 (0.50) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2451925 0.99 ADRB2 (0.49) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2451923 0.99 ADRB2 (0.49) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2451242 0.97 ADRB2 (0.51) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2451244 0.97 ADRB2 (0.51) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2446467 0.93 ADRB2 (0.52) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2446466 0.93 ADRB2 (0.52) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2456424 0.90 ADRB2 (0.47) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2456426 0.90 ADRB2 (0.47) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2451914 0.89 ADRB2 (0.51) ADRB2ADRB1ADRB3MEN1KMT2A

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.