SCHEMBL2452050

SCHEMBL2452050

CCCCCCc1ccccc1/C(=N\N(C)C)n1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
TBXAS1 P24557 1/20 0.33
PLA2G4A P47712 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
HSP90AA1 P07900 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CYP19A1 P11511 1/20 0.32
BID P55957 3/20 0.32
MCL1 Q07820 3/20 0.32
BCL2L1 Q07817 2/20 0.32
BAK1 Q16611 2/20 0.32
KAT8 Q9H7Z6 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
EP300 Q09472 1/20 0.32

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
SCHEMBL2452051 1.00 LIPG (0.38) LIPGADRB2ADRB1ADRB3TBXAS1
SCHEMBL2452610 0.86 ADRB2 (0.38) ADRB2ADRB1ADRB3TBXAS1CYP19A1
SCHEMBL2452609 0.86 ADRB2 (0.38) ADRB2ADRB1ADRB3TBXAS1CYP19A1
SCHEMBL2449877 0.84 ALDH1A1 (0.40) ADRB2ADRB1ADRB3
SCHEMBL2449881 0.84 ALDH1A1 (0.40) ADRB2ADRB1ADRB3
SCHEMBL2447434 0.84 TBXAS1 (0.41) ADRB2ADRB1ADRB3TBXAS1CYP19A1
SCHEMBL2447436 0.84 TBXAS1 (0.41) ADRB2ADRB1ADRB3TBXAS1CYP19A1
SCHEMBL2451923 0.82 ADRB2 (0.49) ADRB2ADRB1ADRB3TBXAS1
SCHEMBL2451925 0.82 ADRB2 (0.49) ADRB2ADRB1ADRB3TBXAS1
SCHEMBL2452001 0.82 ADRB2 (0.37) ADRB2ADRB1ADRB3TBXAS1HSP90AA1

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 LIPG 4573/4885ADRB2 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.