SCHEMBL2452897

SCHEMBL2452897

CN(C)N=C(c1ccccc1O)n1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
ADRB2 P07550 5/20 0.38
ADRB1 P08588 5/20 0.38
ADRB3 P13945 5/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 3/20 0.34
AHR P35869 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR1I2 O75469 1/20 0.33
NR3C1 P04150 1/20 0.33
HTR1A P08908 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CNR1 P21554 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL2452894 1.00 IDO1 (0.43) IDO1ADRB2ADRB1ADRB3MEN1
SCHEMBL2449214 0.86 ADRB2 (0.38) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2449217 0.86 ADRB2 (0.38) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2452040 0.84 ADRB2 (0.37) ADRB2ADRB1ADRB3NR1I2NR3C1
SCHEMBL2453546 0.84 ADRB2 (0.37) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2453548 0.84 ADRB2 (0.37) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL2452039 0.84 ADRB2 (0.37) ADRB2ADRB1ADRB3NR1I2NR3C1
SCHEMBL2452610 0.82 ADRB2 (0.38) ADRB2ADRB1ADRB3KDM4EAHR
SCHEMBL2452609 0.82 ADRB2 (0.38) ADRB2ADRB1ADRB3KDM4EAHR
SCHEMBL2449666 0.82 ADRB2 (0.46) ADRB2ADRB1ADRB3NR1I2NR3C1

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 IDO1 10/4885ADRB2 16/4885ADRB1 33/4885

“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.