SCHEMBL2452744

SCHEMBL2452744

CN(C)c1ccccc1C(=NN1CCCCCC1)n1ccnc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.35
ADRB1 P08588 4/20 0.35
ADRB3 P13945 4/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 3/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
GLI1 P08151 1/20 0.31
PTPN1 P18031 1/20 0.31
CNR2 P34972 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL2453383 0.85 HRH3 (0.34) ADRB2ADRB1ADRB3
SCHEMBL2449583 0.83 MAPT (0.40) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL2449411 0.83 MAPT (0.40) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL2449581 0.83 MAPT (0.40) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL2456250 0.81 MAPT (0.40) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL2456251 0.81 MAPT (0.40) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL2451785 0.81 MAPT (0.40) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL2453069 0.81 IDO1 (0.41) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL2453066 0.81 IDO1 (0.41) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL2447171 0.81 ADRB2 (0.37) ADRB2ADRB1ADRB3ALDH1A1LMNA

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.